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Funnels

Are made strongerFunnel with temperature retained jacket / 10ml / 21mm DIA TS15/25

Roth cup portion integral molding. Has uniformity at the top.

Easy to clean

If you have a number of holes like a Buchner funnel, and build up this "purse" would be able to part. This is very difficult to wash the internal, invisible while. Kiriyama funnel hole in the center is the one place. Easy cleaning done with a simple structure and internal visibility.

You can connect directly with transparent sliding fit into the suction bell and suction flaskNeck size: TS15/25

Kiriyama funnel transparent sliding all together (for each type of VB SB SU SC) by suction bell, etc. Please use a combination of suction flask. All types are available for the S type rubber stopper.

The heat-resistant glass
HARIO H Kiriyama funnel is proven in the heat-resistant glass-made of 32.
And excellent heat resistance, coefficient of linear expansion (0 ~ 300 ?) and the expansion 32,0 ? 10-7 / ?, the shrinkage is small, is resistant to heat. Also suitable for filtration GFF glass fiber filter paper using heat. The main component silicon dioxide (80 percent) is less stable chemical properties of extremely alkaline elution.

 

Funnels


Tough and DurableNeck: Rubber stopper type

A cup part of Kiriyama-rohto is molded in one shot by glass press.
So it has durable, strong, uniform quality.

Easy to wash

Buechner funnel has many holes leads to a drain part whose inside is hard to be seen and washed.
Kiriyama-rohto has only one hole at the center. Because its structure is simple and the inside of it is visible, it can be washed easily.

Direct connection to Bell Jar and Vacuum Flask

Kiriyama-rohto can be connected directly to a bell jar / vacuum flask by grounded glass surface (VB / SB / SU / SC types).
Rubber stopper connection type (S type) is also available.

Made from heat-resistant glass

Kiriyama-rohto is made from well reputed heat-resistant glass, HARIO H-32.
This material has excellent heat-resistant feature because of its small coefficient of the expansion and contraction that is (0-300 ?) 32,0 x 10-7 / ?
It is suitable for high temperature filtration with a glass fiber filter (GFP serious).
Also it is chemically stable and has low alkaline elution because its 80% of the component is silicon dioxide.

 

Funnels

 

About Interactive CorporationSepa-rohto (Separate funnel)

Interactive Corporation was founded in October 1993. Since then, we have grown into an international trading company, and are engaged in overseas and domestic trading of various products such as electronic analytical equipment, semi-conductor manufacturing equipment, industrial equipments, steel products, foods , etc. Now we are pleased to announce that we start distributing all products of Kiriyama Glass Works Co., including its famous Kiriyama-rohto (Kiriyama-funnel) to overseas. In Japan, Kiriyama-rohto has a lot of patronage as an industry standard. At this opportunity, we hope you will try their excellent quality in your laboratory also.

TimTec LLC is an official distributor of Interactive Corporation Kiriyama-rohto Funnels.

News - Blog

ID: ST097994

Formula: C29H18Cl4N2O5

MW: 616.28

LogP: 9.01

LogS: -7.19

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: 4-{(1E)-2-[(3-methylphenyl)carbonylamino]-2-azavinyl}-3-(2,4-dichlorophenylcar bonyloxy)phenyl 2,4-dichlorobenzoate

Rotation Bonds: 8

Lipinski: 2

N+O: 7

Chiral Centers: 0

Smiles: c1(C(Oc2c(/C=N\NC(c3cc(C)ccc3)=O)ccc(OC(c3c(cc(cc3)Cl)Cl)=O)c2)=O)c(cc(cc1)Cl)Cl

ID: ST097995

Formula: C24H18N4O6S

MW: 490.5

LogP: 3.71

LogS: -5.11

Acceptors: 6

Donors: 3

Oil: SOLID

IUPACNAME: 1-{(1E)-2-[(4-aminophenyl)carbonylamino]-2-azavinyl}-2-naphthyl 4-nitrobenzene sulfonate

Rotation Bonds: 3

Lipinski: 4

N+O: 10

Chiral Centers: 0

Smiles: S(Oc1c(c2ccccc2cc1)/C=N\NC(c1ccc(cc1)N)=O)(c1ccc([N+]([O-])=O)cc1)(=O)=O

ID: ST097996

Formula: C16H15N3O4

MW: 313.31

LogP: 1.31

LogS: -3.36

Acceptors: 4

Donors: 4

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2,4-dihydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)acetamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(c1ccc(NC(=O)C)cc1)(N\N=C\c1c(cc(cc1)O)O)=O

ID: ST097997

Formula: C19H21N3O4

MW: 355.39

LogP: 2.82

LogS: -4.27

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-(4-{N-[(1Z)-2-(2,4-dimethoxyphenyl)-1-azavinyl]carbamoyl}phenyl)propanamide

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(c1ccc(NC(=O)CC)cc1)(N\N=C/c1c(cc(cc1)OC)OC)=O

ID: ST097998

Formula: C21H15Br2N3O3

MW: 517.18

LogP: 5.14

LogS: -5.35

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(1E)-2-(3-pyridylcarbonylamino)-2-azavinyl]-4,6-dibromophenyl 3-methylbenzo ate

Rotation Bonds: 5

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: c1(OC(c2cc(C)ccc2)=O)c(cc(cc1Br)Br)/C=N\NC(c1cnccc1)=O

ID: ST097999

Formula: C20H22N2O5

MW: 370.41

LogP: 3.68

LogS: -4.66

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,3,4-trimethoxyphenyl)-1-azavinyl](4-prop-2-enyloxyphenyl)carboxam ide

Rotation Bonds: 6

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1(c(c(/C=N\NC(c2ccc(cc2)OCC=C)=O)ccc1OC)OC)OC

ID: ST098000

Formula: C17H14N2O2

MW: 278.31

LogP: 3.72

LogS: -4.3

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-prop-2-ynyloxyphenyl)-1-azavinyl]benzamide

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(N\N=C\c1c(OCC#C)cccc1)(=O)c1ccccc1

ID: ST098001

Formula: C22H27N3O4

MW: 397.47

LogP: 4.31

LogS: -4.96

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]carbamoyl}phenyl)hexanamide

Rotation Bonds: 8

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(c1ccc(NC(=O)CCCCC)cc1)(N\N=C\c1c(cc(cc1)OC)OC)=O

ID: ST098002

Formula: C21H25N3O3

MW: 367.45

LogP: 4.43

LogS: -4.88

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)hexanamide

Rotation Bonds: 7

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(NC(=O)CCCCC)cc1)(N\N=C\c1c(OC)cccc1)=O

ID: ST098003

Formula: C18H21N3O2

MW: 311.38

LogP: 4.24

LogS: -4.57

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}(2-hydroxyphenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2ccc(cc2)N(CC)CC)=O)c(O)cccc1

ID: ST098004

Formula: C14H12N2O2

MW: 240.26

LogP: 3.06

LogS: -3.8

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-((1E)-2-phenyl-1-azavinyl)(2-hydroxyphenyl)carboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2ccccc2)=O)c(O)cccc1

ID: ST098005

Formula: C14H11N3O4

MW: 285.26

LogP: 2.53

LogS: -3.74

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl](3-nitrophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: [N+](c1cc(C(N\N=C\c2c(O)cccc2)=O)ccc1)([O-])=O

ID: ST098006

Formula: C18H13N3O4

MW: 335.32

LogP: 3.74

LogS: -4.42

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1Z)-2-(2-hydroxynaphthyl)-1-azavinyl](3-nitrophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: [N+](c1cc(C(N\N=C/c2c3c(cccc3)ccc2O)=O)ccc1)([O-])=O

ID: ST098007

Formula: C19H16N2O3

MW: 320.35

LogP: 3.8

LogS: -4.46

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl](4-methoxyphenyl)carboxamide

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c2c(cccc2)ccc1O)/C=N\NC(c1ccc(cc1)OC)=O

ID: ST098008

Formula: C15H13BrN2O3

MW: 349.18

LogP: 3.4

LogS: -4.14

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-methoxyphenyl)-1-azavinyl](5-bromo-2-hydroxyphenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2c(OC)cccc2)=O)c(ccc(c1)Br)O

ID: ST098009

Formula: C19H16N2O2

MW: 304.35

LogP: 4.3

LogS: -4.54

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(1-hydroxy(2-naphthyl))-1-azaprop-1-enyl]benzamide

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c(c2ccccc2cc1)O)/C(=N\NC(=O)c1ccccc1)C

ID: ST098010

Formula: C19H15N3O4

MW: 349.35

LogP: 4.04

LogS: -4.56

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(1-hydroxy(2-naphthyl))-1-azaprop-1-enyl](4-nitrophenyl)carboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: [N+](c1ccc(C(N\N=C(\c2c(c3ccccc3cc2)O)C)=O)cc1)([O-])=O

ID: ST098011

Formula: C25H17ClN2O3

MW: 428.87

LogP: 6.82

LogS: -5.96

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 1-[(1E)-2-(phenylcarbonylamino)-2-azavinyl]-2-naphthyl 4-chlorobenzoate

Rotation Bonds: 3

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: c1(c(OC(c2ccc(cc2)Cl)=O)ccc2c1cccc2)/C=N\NC(=O)c1ccccc1

ID: ST098012

Formula: C21H19N3O5

MW: 393.4

LogP: 4.39

LogS: -5

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-ethoxy-5-nitrophenyl)-1-azavinyl](3-methoxy(2-naphthyl))carboxami de

Rotation Bonds: 6

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: c1(cc2ccccc2cc1OC)C(N\N=C\c1cc([N+]([O-])=O)ccc1OCC)=O

ID: ST098013

Formula: C20H23BrN2O2

MW: 403.32

LogP: 6.45

LogS: -5.52

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hexyloxyphenyl)-1-azavinyl](4-bromophenyl)carboxamide

Rotation Bonds: 8

Lipinski: 3

N+O: 4

Chiral Centers: 0

Smiles: C(c1ccc(cc1)Br)(N\N=C\c1c(OCCCCCC)cccc1)=O

ID: ST098014

Formula: C23H15ClIN3O2

MW: 527.75

LogP: 6.2

LogS: -5.71

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: 6-[(1E)-2-(2-iodophenyl)-2-azavinyl]-2-amino-4-(3-chlorophenyl)-7-hydroxy-4H-c hromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 2

N+O: 5

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1cc(Cl)ccc1)cc(c(O)c2)/C=N\c1c(I)cccc1)N)C#N

ID: ST098015

Formula: C28H22Cl2N2O3

MW: 505.4

LogP: 8.1

LogS: -6.63

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-((1E)-2-{2-[(2-chlorophenyl)methoxy]phenyl}-1-azavinyl){4-[(4-chlorophenyl)m ethoxy]phenyl}carboxamide

Rotation Bonds: 6

Lipinski: 2

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(OCc2ccc(cc2)Cl)cc1)(N\N=C\c1c(OCc2c(Cl)cccc2)cccc1)=O

ID: ST098016

Formula: C21H16Cl2N2O2

MW: 399.28

LogP: 6.02

LogS: -5.46

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-((1E)-2-{2-[(2-chlorophenyl)methoxy]phenyl}-1-azavinyl)(4-chlorophenyl)carbo xamide

Rotation Bonds: 5

Lipinski: 3

N+O: 4

Chiral Centers: 0

Smiles: C(c1ccc(cc1)Cl)(N\N=C\c1c(OCc2c(Cl)cccc2)cccc1)=O

ID: ST098017

Formula: C22H27N3O4

MW: 397.47

LogP: 6.52

LogS: -5.69

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-octyloxyphenyl)-1-azavinyl](3-nitrophenyl)carboxamide

Rotation Bonds: 11

Lipinski: 3

N+O: 7

Chiral Centers: 0

Smiles: [N+](c1cc(C(N\N=C\c2c(OCCCCCCCC)cccc2)=O)ccc1)([O-])=O

ID: ST098018

Formula: C25H25BrN2O3

MW: 481.39

LogP: 7.53

LogS: -6.22

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-butoxyphenyl)-1-azavinyl]{4-[(4-bromophenyl)methoxy]phenyl}carbox amide

Rotation Bonds: 7

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(OCc2ccc(cc2)Br)cc1)(N\N=C\c1c(OCCCC)cccc1)=O

ID: ST098019

Formula: C22H17ClN2O3

MW: 392.84

LogP: 6.09

LogS: -5.51

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1E)-2-[(3-methylphenyl)carbonylamino]-2-azavinyl}phenyl 4-chlorobenzoate

Rotation Bonds: 4

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: C(Oc1c(/C=N\NC(c2cc(C)ccc2)=O)cccc1)(c1ccc(cc1)Cl)=O

ID: ST098020

Formula: C16H14Br2N2O2

MW: 426.11

LogP: 5.01

LogS: -4.88

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-ethoxyphenyl)-1-azavinyl](3-bromophenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(c1cc(Br)ccc1)(N\N=C\c1c(ccc(c1)Br)OCC)=O

ID: ST098021

Formula: C15H12Br2N2O3

MW: 428.08

LogP: 4.04

LogS: -4.44

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl](5-bromo-2-hydroxyphenyl)carbox amide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2c(ccc(c2)Br)OC)=O)c(ccc(c1)Br)O

ID: ST098022

Formula: C18H20BrN3O2

MW: 390.28

LogP: 4.76

LogS: -4.84

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}(5-bromo-2-hydroxyphenyl)carboxa mide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2ccc(cc2)N(CC)CC)=O)c(ccc(c1)Br)O

ID: ST098023

Formula: C19H23N3O2

MW: 325.41

LogP: 4.37

LogS: -4.79

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}(4-methoxyphenyl)carboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(cc1)OC)(N\N=C\c1ccc(cc1)N(CC)CC)=O

ID: ST098024

Formula: C17H12Cl2N2O

MW: 331.2

LogP: 5.06

LogS: -4.97

Acceptors: 1

Donors: 0

Oil: SOLID

IUPACNAME: 4-[(2,4-dichlorophenyl)methylene]-3-methyl-1-phenyl-1,2-diazolin-5-one

Rotation Bonds: 1

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: C1(/C(N(c2ccccc2)N=C1C)=O)=C\c1c(cc(cc1)Cl)Cl

ID: ST098025

Formula: C16H15ClN2O3

MW: 318.76

LogP: 3.57

LogS: -4.35

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,5-dimethoxyphenyl)-1-azavinyl](3-chlorophenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1cc(Cl)ccc1)(N\N=C\c1c(ccc(c1)OC)OC)=O

ID: ST098026

Formula: C20H12Br3N3O3

MW: 582.05

LogP: 5.28

LogS: -5.43

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(1E)-2-(4-pyridylcarbonylamino)-2-azavinyl]-4,6-dibromophenyl 3-bromobenzoa te

Rotation Bonds: 4

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: c1(OC(c2cc(Br)ccc2)=O)c(cc(cc1Br)Br)/C=N\NC(=O)c1ccncc1

ID: ST098027

Formula: C18H19N3O4

MW: 341.37

LogP: 1.98

LogS: -3.97

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]carbamoyl}phenyl)acetamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(c1ccc(NC(=O)C)cc1)(N\N=C\c1c(cc(cc1)OC)OC)=O

ID: ST098028

Formula: C15H12Br2N2O2

MW: 412.08

LogP: 4.43

LogS: -4.62

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl](3-bromophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(c1cc(Br)ccc1)(N\N=C\c1c(ccc(c1)Br)OC)=O

ID: ST098029

Formula: C15H12Br2N2O2

MW: 412.08

LogP: 4.51

LogS: -4.64

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl](4-bromophenyl)carboxamide

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c(ccc(c1)Br)OC)/C=N\NC(c1ccc(cc1)Br)=O

ID: ST098030

Formula: C15H13BrN2O2

MW: 333.18

LogP: 3.88

LogS: -4.35

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl]benzamide

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c(ccc(c1)Br)OC)/C=N\NC(=O)c1ccccc1

ID: ST098031

Formula: C15H12BrN3O4

MW: 378.18

LogP: 3.58

LogS: -4.35

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl](3-nitrophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: [N+](c1cc(C(N\N=C\c2c(ccc(c2)Br)OC)=O)ccc1)([O-])=O

ID: ST098032

Formula: C15H13N3O4

MW: 299.29

LogP: 2.81

LogS: -4.01

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-methoxy-5-nitrophenyl)-1-azavinyl]benzamide

Rotation Bonds: 2

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: [N+](c1cc(/C=N\NC(=O)c2ccccc2)c(cc1)OC)([O-])=O

ID: ST098033

Formula: C26H19BrN2O3

MW: 487.35

LogP: 7.52

LogS: -6.28

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 1-{(1E)-2-[(4-bromophenyl)carbonylamino]-2-azavinyl}-2-naphthyl 2-methylbenzoa te

Rotation Bonds: 4

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: C(Oc1c(c2ccccc2cc1)/C=N\NC(c1ccc(cc1)Br)=O)(c1c(C)cccc1)=O

ID: ST098034

Formula: C17H13ClN2O

MW: 296.76

LogP: 4.52

LogS: -4.72

Acceptors: 1

Donors: 0

Oil: SOLID

IUPACNAME: 4-[(4-chlorophenyl)methylene]-3-methyl-1-phenyl-1,2-diazolin-5-one

Rotation Bonds: 0

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: C1(/C(N(c2ccccc2)N=C1C)=O)=C\c1ccc(cc1)Cl

ID: ST098035

Formula: C16H14Br2N2O2

MW: 426.11

LogP: 5.09

LogS: -4.9

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-ethoxyphenyl)-1-azavinyl](4-bromophenyl)carboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c(ccc(c1)Br)OCC)/C=N\NC(c1ccc(cc1)Br)=O

ID: ST098036

Formula: C17H16Br2N2O2

MW: 440.13

LogP: 5.59

LogS: -5.13

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-propoxyphenyl)-1-azavinyl](4-bromophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c(ccc(c1)Br)OCCC)/C=N\NC(c1ccc(cc1)Br)=O

ID: ST098037

Formula: C20H23BrN2O3

MW: 419.32

LogP: 5.9

LogS: -5.39

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,4-dipropoxyphenyl)-1-azavinyl](4-bromophenyl)carboxamide

Rotation Bonds: 8

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(cc1)Br)(N\N=C\c1c(cc(cc1)OCCC)OCCC)=O

ID: ST098038

Formula: C23H21BrN2O4

MW: 469.33

LogP: 5.73

LogS: -5.54

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl]{4-[(3-bromophenyl)methoxy]phenyl}c arboxamide

Rotation Bonds: 6

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(OCc2cc(Br)ccc2)cc1)(N\N=C\c1c(c(OC)ccc1)OC)=O

ID: ST098039

Formula: C19H20N2O4

MW: 340.38

LogP: 3.74

LogS: -4.57

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl](4-prop-2-enyloxyphenyl)carboxamide

Rotation Bonds: 6

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(cc1)OCC=C)(N\N=C\c1c(c(OC)ccc1)OC)=O

ID: ST098040

Formula: C18H20N2O4

MW: 328.37

LogP: 3.24

LogS: -4.35

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl](4-ethoxyphenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(cc1)OCC)(N\N=C\c1c(c(OC)ccc1)OC)=O

ID: ST098041

Formula: C21H14Br2FN3O3

MW: 535.17

LogP: 4.84

LogS: -5.03

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)(4-f luorophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: C(Nc1cc(C(N\N=C\c2c(c(Br)cc(c2)Br)O)=O)ccc1)(c1ccc(cc1)F)=O

ID: ST098042

Formula: C24H22N4O6

MW: 462.46

LogP: 4.3

LogS: -5.14

Acceptors: 6

Donors: 2

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(2-ethoxy-5-nitrophenyl)-1-azavinyl]carbamoyl}phenyl)(4-methox yphenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 10

Chiral Centers: 0

Smiles: [N+](c1cc(/C=N\NC(c2cc(NC(c3ccc(cc3)OC)=O)ccc2)=O)c(cc1)OCC)([O-])=O

ID: ST098043

Formula: C24H23N3O5

MW: 433.46

LogP: 4.03

LogS: -5

Acceptors: 5

Donors: 2

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]carbamoyl}phenyl)(4-methoxyph enyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: C(Nc1cc(C(N\N=C\c2c(cc(cc2)OC)OC)=O)ccc1)(c1ccc(cc1)OC)=O

ID: ST098044

Formula: C19H21N3O4

MW: 355.39

LogP: 3.09

LogS: -4.2

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-hydroxy-3-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)butana mide

Rotation Bonds: 6

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(c1ccc(NC(=O)CCC)cc1)(N\N=C\c1c(c(OC)ccc1)O)=O

ID: ST098045

Formula: C22H18ClN3O4

MW: 423.86

LogP: 4.12

LogS: -4.81

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-hydroxy-5-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)(4-chl orophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(Nc1ccc(C(N\N=C\c2c(ccc(c2)OC)O)=O)cc1)(c1ccc(cc1)Cl)=O

ID: ST098046

Formula: C22H19BrN2O3

MW: 439.31

LogP: 5.77

LogS: -5.45

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl][4-(phenylmethoxy)phenyl]carbox amide

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c(ccc(c1)Br)OC)/C=N\NC(c1ccc(OCc2ccccc2)cc1)=O

ID: ST098047

Formula: C22H19N3O6

MW: 421.41

LogP: 4.54

LogS: -5.04

Acceptors: 6

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-1-azavinyl][4-(phenylmethoxy)phe nyl]carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 9

Chiral Centers: 0

Smiles: c1([N+]([O-])=O)c(c(/C=N\NC(c2ccc(OCc3ccccc3)cc2)=O)cc(c1)OC)O

ID: ST098048

Formula: C22H19N3O3

MW: 373.41

LogP: 4.4

LogS: -4.77

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)(4-methylphenyl) carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(Nc1cc(C(N\N=C\c2c(O)cccc2)=O)ccc1)(c1ccc(cc1)C)=O

ID: ST098049

Formula: C23H20N4O6

MW: 448.44

LogP: 4.22

LogS: -4.97

Acceptors: 6

Donors: 3

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-1-azavinyl]carbamoyl}pheny l)(4-methylphenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 10

Chiral Centers: 0

Smiles: c1([N+]([O-])=O)c(c(/C=N\NC(c2cc(NC(c3ccc(cc3)C)=O)ccc2)=O)cc(c1)OC)O

ID: ST098050

Formula: C28H23N3O5

MW: 481.51

LogP: 6.71

LogS: -6.14

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: N-((1E)-2-{2-[(2-nitrophenyl)methoxy]phenyl}-1-azavinyl)[4-(phenylmethoxy)phen yl]carboxamide

Rotation Bonds: 5

Lipinski: 3

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1c(COc2c(/C=N\NC(c3ccc(OCc4ccccc4)cc3)=O)cccc2)cccc1)([O-])=O

ID: ST098051

Formula: C21H15I2N3O3

MW: 611.18

LogP: 6.69

LogS: -5.77

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-hydroxy-3,5-diiodophenyl)-1-azavinyl]carbamoyl}phenyl)benza mide

Rotation Bonds: 3

Lipinski: 2

N+O: 6

Chiral Centers: 0

Smiles: C(Nc1ccc(C(N\N=C\c2c(c(I)cc(c2)I)O)=O)cc1)(=O)c1ccccc1

ID: ST098052

Formula: C24H23N3O4

MW: 417.46

LogP: 4.7

LogS: -5.17

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]carbamoyl}phenyl)(4-methylphe nyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(Nc1cc(C(N\N=C\c2c(cc(cc2)OC)OC)=O)ccc1)(c1ccc(cc1)C)=O

ID: ST098053

Formula: C25H23N3O3

MW: 413.48

LogP: 5.5

LogS: -5.38

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(2-hydroxy-3-prop-2-enylphenyl)-1-azavinyl]carbamoyl}phenyl)(4 -methylphenyl)carboxamide

Rotation Bonds: 6

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(Nc1cc(C(N\N=C\c2c(c(CC=C)ccc2)O)=O)ccc1)(c1ccc(cc1)C)=O

ID: ST098054

Formula: C23H21N3O4

MW: 403.44

LogP: 4.22

LogS: -4.84

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(2-hydroxy-5-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)(4-met hylphenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(Nc1cc(C(N\N=C\c2c(ccc(c2)OC)O)=O)ccc1)(c1ccc(cc1)C)=O

ID: ST098055

Formula: C19H21N3O4

MW: 355.39

LogP: 2.84

LogS: -4.17

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-hydroxy-5-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)butana mide

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1(c(ccc(c1)OC)O)/C=N\NC(c1ccc(NC(=O)CCC)cc1)=O

ID: ST098056

Formula: C19H21N3O3

MW: 339.39

LogP: 3.44

LogS: -4.42

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)butanamide

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(NC(=O)CCC)cc1)(N\N=C\c1c(OC)cccc1)=O

ID: ST098057

Formula: C21H16Br2N2O3

MW: 504.18

LogP: 5.37

LogS: -5.23

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-{(1E)-2-[2-(phenylmethoxy)phenyl]-1-azavinyl}(3,5-dibromo-2-hydroxyphenyl)ca rboxamide

Rotation Bonds: 6

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: c1(c(c(Br)cc(c1)Br)O)C(N\N=C\c1c(OCc2ccccc2)cccc1)=O

ID: ST098058

Formula: C15H16F3N5

MW: 323.32

LogP: 2.64

LogS: -3.9

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminopiperidylmethyl)-3-{[3-(trifluoromethyl)phenyl]amino}-3-azaprop-2 -enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1cc(C(F)(F)F)ccc1)C#N)(N1CCCCC1)=N

ID: ST098059

Formula: C18H20N4O3

MW: 340.38

LogP: 4.24

LogS: -4.74

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}(2-nitrophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: [N+](c1c(C(N\N=C\c2ccc(cc2)N(CC)CC)=O)cccc1)([O-])=O

ID: ST098060

Formula: C34H26Cl2N6O2

MW: 621.53

LogP: 6.81

LogS: -6.83

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: 1-(4-chlorophenyl)-4-[({4-[4-({[1-(4-chlorophenyl)-3-methyl-5-oxo(1,2-diazolin -4-ylidene)]methyl}amino)phenyl]phenyl}amino)methylene]-3-methyl-1,2-diazolin- 5-one

Rotation Bonds: 0

Lipinski: 2

N+O: 8

Chiral Centers: 0

Smiles: N1(N=C(C)C(/C1=O)=C/Nc1ccc(cc1)c1ccc(N\C=C2\C(N(c3ccc(cc3)Cl)N=C2C)=O)cc1)c1ccc(cc1)Cl

ID: ST098061

Formula: C18H13BrN4S

MW: 397.3

LogP: 5.04

LogS: -5.01

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(4-bromophenyl)(1,3-thiazol-2-yl)]-3-[(4-methylphenyl)amino]-3-azapr op-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)C)C#N)scc1c1ccc(cc1)Br

ID: ST098062

Formula: C24H18N4O5

MW: 442.43

LogP: 4.11

LogS: -4.99

Acceptors: 5

Donors: 3

Oil: SOLID

IUPACNAME: 8-[(1Z)-2-(2-methoxyphenyl)-2-azavinyl]-2-amino-5-hydroxy-4-(3-nitrophenyl)-4H -chromene-3-carbonitrile

Rotation Bonds: 4

Lipinski: 4

N+O: 9

Chiral Centers: 1

Smiles: C=1(C(c2c(ccc(c2OC1N)/C=N/c1c(OC)cccc1)O)c1cc([N+]([O-])=O)ccc1)C#N

ID: ST098063

Formula: C24H18N4O5

MW: 442.43

LogP: 4.26

LogS: -5.04

Acceptors: 5

Donors: 3

Oil: SOLID

IUPACNAME: (4R)-8-[(1Z)-2-(3-methoxyphenyl)-2-azavinyl]-2-amino-5-hydroxy-4-(2-nitropheny l)-4H-chromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 9

Chiral Centers: 1

Smiles: C=1([C@@H](c2c(ccc(c2OC1N)/C=N/c1cc(OC)ccc1)O)c1c([N+]([O-])=O)cccc1)C#N

ID: ST098064

Formula: C23H16N4O4

MW: 412.4

LogP: 4.34

LogS: -4.95

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: (4R)-8-((1Z)-2-phenyl-2-azavinyl)-2-amino-5-hydroxy-4-(2-nitrophenyl)-4H-chrom ene-3-carbonitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 8

Chiral Centers: 1

Smiles: C=1([C@@H](c2c(ccc(c2OC1N)/C=N/c1ccccc1)O)c1c([N+]([O-])=O)cccc1)C#N

ID: ST098065

Formula: C24H18N4O5

MW: 442.43

LogP: 4.06

LogS: -4.99

Acceptors: 5

Donors: 3

Oil: SOLID

IUPACNAME: 8-[(1Z)-2-(4-methoxyphenyl)-2-azavinyl]-2-amino-5-hydroxy-4-(3-nitrophenyl)-4H -chromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 9

Chiral Centers: 1

Smiles: C=1(C(c2c(ccc(c2OC1N)/C=N/c1ccc(cc1)OC)O)c1cc([N+]([O-])=O)ccc1)C#N

ID: ST098066

Formula: C22H27BrN2O2

MW: 431.37

LogP: 7.36

LogS: -5.97

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-octyloxyphenyl)-1-azavinyl](3-bromophenyl)carboxamide

Rotation Bonds: 11

Lipinski: 3

N+O: 4

Chiral Centers: 0

Smiles: C(c1cc(Br)ccc1)(N\N=C\c1c(OCCCCCCCC)cccc1)=O

ID: ST098067

Formula: C22H18ClN3O4

MW: 423.86

LogP: 4.36

LogS: -4.84

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-hydroxy-3-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)(2-chl orophenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(c1c(Cl)cccc1)(Nc1ccc(C(N\N=C\c2c(c(OC)ccc2)O)=O)cc1)=O

ID: ST098068

Formula: C21H16BrN3O4

MW: 454.28

LogP: 5.28

LogS: -5.29

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-{(1E)-2-[5-bromo-2-(phenylmethoxy)phenyl]-1-azavinyl}(4-nitrophenyl)carboxam ide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: [N+](c1ccc(C(N\N=C\c2c(OCc3ccccc3)ccc(c2)Br)=O)cc1)([O-])=O

ID: ST098069

Formula: C22H18N4O7

MW: 450.41

LogP: 4.66

LogS: -5.18

Acceptors: 7

Donors: 1

Oil: SOLID

IUPACNAME: N-{(1E)-2-[3-methoxy-2-(phenylmethoxy)phenyl]-1-azavinyl}(3,5-dinitrophenyl)ca rboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 11

Chiral Centers: 0

Smiles: [N+](c1cc([N+]([O-])=O)cc(c1)C(N\N=C\c1c(OCc2ccccc2)c(OC)ccc1)=O)([O-])=O

ID: ST098070

Formula: C22H17I2N3O3

MW: 625.2

LogP: 7.2

LogS: -6

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(2-hydroxy-3,5-diiodophenyl)-1-azavinyl]carbamoyl}phenyl)(4-me thylphenyl)carboxamide

Rotation Bonds: 4

Lipinski: 2

N+O: 6

Chiral Centers: 0

Smiles: C(Nc1cc(C(N\N=C\c2c(c(I)cc(c2)I)O)=O)ccc1)(c1ccc(cc1)C)=O

ID: ST098071

Formula: C22H17Br2N3O3

MW: 531.2

LogP: 5.45

LogS: -5.28

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)(4-m ethylphenyl)carboxamide

Rotation Bonds: 4

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: C(Nc1cc(C(N\N=C\c2c(c(Br)cc(c2)Br)O)=O)ccc1)(c1ccc(cc1)C)=O

ID: ST098072

Formula: C22H19N3O4

MW: 389.41

LogP: 3.94

LogS: -4.53

Acceptors: 4

Donors: 4

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2,4-dihydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)(2-methylphe nyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(Nc1ccc(C(N\N=C\c2c(cc(cc2)O)O)=O)cc1)(c1c(C)cccc1)=O

ID: ST098073

Formula: C23H20N4O7

MW: 464.43

LogP: 5.21

LogS: -5.43

Acceptors: 7

Donors: 1

Oil: SOLID

IUPACNAME: N-((1E)-2-{3-methoxy-2-[(3-methylphenyl)methoxy]phenyl}-1-azavinyl)(3,5-dinitr ophenyl)carboxamide

Rotation Bonds: 6

Lipinski: 4

N+O: 11

Chiral Centers: 0

Smiles: [N+](c1cc([N+]([O-])=O)cc(c1)C(N\N=C\c1c(OCc2cc(C)ccc2)c(OC)ccc1)=O)([O-])=O

ID: ST098074

Formula: C30H26N4O7

MW: 554.56

LogP: 7.54

LogS: -6.64

Acceptors: 7

Donors: 1

Oil: SOLID

IUPACNAME: N-((1E)-2-{2,4-bis[(3-methylphenyl)methoxy]phenyl}-1-azavinyl)(3,5-dinitrophen yl)carboxamide

Rotation Bonds: 8

Lipinski: 2

N+O: 11

Chiral Centers: 0

Smiles: [N+](c1cc([N+]([O-])=O)cc(c1)C(N\N=C\c1c(cc(cc1)OCc1cc(C)ccc1)OCc1cc(C)ccc1)=O)([O-])=O

ID: ST098075

Formula: C16H15N3O5

MW: 329.31

LogP: 2.86

LogS: -4.14

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl](4-nitrophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1ccc(C(N\N=C\c2c(cc(cc2)OC)OC)=O)cc1)([O-])=O

ID: ST098076

Formula: C21H14N4O7

MW: 434.36

LogP: 4.73

LogS: -5.12

Acceptors: 7

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(1Z)-2-(phenylcarbonylamino)-2-azavinyl]phenyl 3,5-dinitrobenzoate

Rotation Bonds: 3

Lipinski: 4

N+O: 11

Chiral Centers: 0

Smiles: [N+](c1cc([N+]([O-])=O)cc(C(Oc2c(/C=N/NC(=O)c3ccccc3)cccc2)=O)c1)([O-])=O

ID: ST098077

Formula: C22H16N4O8

MW: 464.39

LogP: 4.49

LogS: -5.16

Acceptors: 8

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1Z)-2-[(4-methoxyphenyl)carbonylamino]-2-azavinyl}phenyl 3,5-dinitrobenzoa te

Rotation Bonds: 3

Lipinski: 4

N+O: 12

Chiral Centers: 0

Smiles: [N+](c1cc([N+]([O-])=O)cc(C(Oc2c(/C=N/NC(c3ccc(cc3)OC)=O)cccc2)=O)c1)([O-])=O

ID: ST098078

Formula: C24H20N2O3

MW: 384.43

LogP: 5.95

LogS: -5.54

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1E)-2-[(3-methylphenyl)carbonylamino]-2-azavinyl}phenyl (2E)-3-phenylprop- 2-enoate

Rotation Bonds: 6

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1cc(C)ccc1)(N\N=C\c1c(OC(/C=C\c2ccccc2)=O)cccc1)=O

ID: ST098079

Formula: C18H19FN2O3

MW: 330.36

LogP: 4.02

LogS: -4.57

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,4-diethoxyphenyl)-1-azavinyl](4-fluorophenyl)carboxamide

Rotation Bonds: 6

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(cc1)F)(N\N=C\c1c(cc(cc1)OCC)OCC)=O

ID: ST098080

Formula: C26H36N2O4

MW: 440.58

LogP: 7.38

LogS: -6.24

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl](4-decyloxyphenyl)carboxamide

Rotation Bonds: 13

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(cc1)OCCCCCCCCCC)(N\N=C\c1c(c(OC)ccc1)OC)=O

ID: ST098081

Formula: C21H26N2O2

MW: 338.45

LogP: 6.32

LogS: -5.46

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-heptyloxyphenyl)-1-azavinyl]benzamide

Rotation Bonds: 9

Lipinski: 3

N+O: 4

Chiral Centers: 0

Smiles: C(N\N=C\c1c(OCCCCCCC)cccc1)(=O)c1ccccc1

ID: ST098082

Formula: C23H31N3O2

MW: 381.52

LogP: 6.59

LogS: -5.79

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-heptyloxyphenyl)-1-azavinyl][4-(dimethylamino)phenyl]carboxamide

Rotation Bonds: 9

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(cc1)N(C)C)(N\N=C\c1c(OCCCCCCC)cccc1)=O

ID: ST098083

Formula: C16H15BrN2O3

MW: 363.21

LogP: 3.6

LogS: -4.38

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,5-dimethoxyphenyl)-1-azavinyl](3-bromophenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1cc(Br)ccc1)(N\N=C\c1c(ccc(c1)OC)OC)=O

ID: ST098084

Formula: C19H21BrN2O2

MW: 389.29

LogP: 5.87

LogS: -5.27

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-pentyloxyphenyl)-1-azavinyl](3-bromophenyl)carboxamide

Rotation Bonds: 8

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(c1cc(Br)ccc1)(N\N=C\c1c(OCCCCC)cccc1)=O

ID: ST098085

Formula: C20H12Br3N3O3

MW: 582.05

LogP: 5.29

LogS: -5.43

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(1E)-2-(4-pyridylcarbonylamino)-2-azavinyl]-4,6-dibromophenyl 2-bromobenzoa te

Rotation Bonds: 4

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: C(Oc1c(cc(cc1Br)Br)/C=N\NC(=O)c1ccncc1)(c1c(Br)cccc1)=O

ID: ST098086

Formula: C21H14Br2FN3O3

MW: 535.17

LogP: 5.27

LogS: -5.41

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1E)-2-[(6-methyl(3-pyridyl))carbonylamino]-2-azavinyl}-4,6-dibromophenyl 3 -fluorobenzoate

Rotation Bonds: 5

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: c1(OC(c2cc(F)ccc2)=O)c(cc(cc1Br)Br)/C=N\NC(c1cnc(cc1)C)=O

ID: ST098087

Formula: C23H15Br2IN2O5

MW: 686.1

LogP: 7.11

LogS: -6.27

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(1E)-2-(2H,3H-benzo[3,4-e]1,4-dioxan-6-ylcarbonylamino)-2-azavinyl]-4,6-dib romophenyl 2-iodobenzoate

Rotation Bonds: 5

Lipinski: 2

N+O: 7

Chiral Centers: 0

Smiles: C(Oc1c(cc(cc1Br)Br)/C=N\NC(c1cc2OCCOc2cc1)=O)(c1c(I)cccc1)=O

ID: ST098088

Formula: C23H17N3O7

MW: 447.4

LogP: 4.47

LogS: -5.14

Acceptors: 7

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(1E)-2-(2H,3H-benzo[3,4-e]1,4-dioxan-6-ylcarbonylamino)-2-azavinyl]phenyl 4 -nitrobenzoate

Rotation Bonds: 4

Lipinski: 4

N+O: 10

Chiral Centers: 0

Smiles: [N+](c1ccc(C(Oc2c(/C=N\NC(c3cc4OCCOc4cc3)=O)cccc2)=O)cc1)([O-])=O

ID: ST098089

Formula: C24H18Br2N2O5

MW: 574.23

LogP: 6.55

LogS: -5.97

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(1E)-2-(2H,3H-benzo[3,4-e]1,4-dioxan-6-ylcarbonylamino)-2-azavinyl]-4,6-dib romophenyl 3-methylbenzoate

Rotation Bonds: 5

Lipinski: 2

N+O: 7

Chiral Centers: 0

Smiles: c1(OC(c2cc(C)ccc2)=O)c(cc(cc1Br)Br)/C=N\NC(c1cc2OCCOc2cc1)=O

ID: ST098090

Formula: C23H16BrN3O7

MW: 526.3

LogP: 5.11

LogS: -5.44

Acceptors: 7

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(1Z)-2-(2H,3H-benzo[3,4-e]1,4-dioxan-6-ylcarbonylamino)-2-azavinyl]-4-bromo phenyl 4-nitrobenzoate

Rotation Bonds: 4

Lipinski: 3

N+O: 10

Chiral Centers: 0

Smiles: [N+](c1ccc(C(Oc2c(cc(cc2)Br)/C=N/NC(c2cc3OCCOc3cc2)=O)=O)cc1)([O-])=O

ID: ST098091

Formula: C23H15Br3N2O5

MW: 639.09

LogP: 6.63

LogS: -6.02

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(1E)-2-(2H,3H-benzo[3,4-e]1,4-dioxin-6-ylcarbonylamino)-2-azavinyl]-4,6-dib romophenyl 3-bromobenzoate

Rotation Bonds: 5

Lipinski: 2

N+O: 7

Chiral Centers: 0

Smiles: c1(OC(c2cc(Br)ccc2)=O)c(cc(cc1Br)Br)/C=N\NC(c1cc2OCCOc2cc1)=O

ID: ST098092

Formula: C20H11Br3FN3O3

MW: 600.04

LogP: 5.27

LogS: -5.44

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1E)-2-[(5-bromo(3-pyridyl))carbonylamino]-2-azavinyl}-4,6-dibromophenyl 3- fluorobenzoate

Rotation Bonds: 5

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: c1(OC(c2cc(F)ccc2)=O)c(cc(cc1Br)Br)/C=N\NC(c1cc(Br)cnc1)=O

ID: ST098093

Formula: C20H12Br2N4O5

MW: 548.15

LogP: 4.45

LogS: -5.16

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1E)-2-[(5-bromo(3-pyridyl))carbonylamino]-2-azavinyl}-4-bromophenyl 4-nitr obenzoate

Rotation Bonds: 4

Lipinski: 3

N+O: 9

Chiral Centers: 0

Smiles: [N+](c1ccc(C(Oc2c(cc(cc2)Br)/C=N\NC(c2cc(Br)cnc2)=O)=O)cc1)([O-])=O

ID: ST098094

Formula: C17H18BrN3O5S

MW: 456.32

LogP: 2.71

LogS: -4.4

Acceptors: 5

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2,3-dimethoxyphenyl)-1-azavinyl]{2-[(methylamino)sulfonyl]p henyl}carboxamide

Rotation Bonds: 6

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: S(c1c(C(N\N=C\c2c(c(OC)cc(c2)Br)OC)=O)cccc1)(=O)(=O)NC

ID: ST098095

Formula: C17H14N4O4

MW: 338.32

LogP: 2.03

LogS: -4.09

Acceptors: 4

Donors: 0

Oil: SOLID

IUPACNAME: 3-[(1E)-2-(2-methoxy-5-nitrophenyl)-1-azavinyl]-2-methyl-3-hydroquinazolin-4-o ne

Rotation Bonds: 3

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: n1(c(c2ccccc2nc1C)=O)\N=C\c1cc([N+]([O-])=O)ccc1OC

ID: ST098096

Formula: C14H12N2O3

MW: 256.26

LogP: 2.47

LogS: -3.56

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl](2-hydroxyphenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2c(O)cccc2)=O)c(O)cccc1

ID: ST098097

Formula: C15H13N3O4S

MW: 331.35

LogP: 4.1

LogS: -4.37

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 2-[2-(2-methoxy-5-nitrophenyl)-1,3,4-thiadiazolin-5-yl]phenol

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: C=1(SC(c2cc([N+]([O-])=O)ccc2OC)NN1)c1c(O)cccc1

ID: ST098098

Formula: C21H13F4N3O4

MW: 447.35

LogP: 5.06

LogS: -5.15

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-((1Z)-2-{2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-1-azavinyl)(3-fluorop henyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1([N+]([O-])=O)c(Oc2c(/C=N/NC(c3cc(F)ccc3)=O)cccc2)ccc(C(F)(F)F)c1

ID: ST098099

Formula: C19H16N2O2

MW: 304.35

LogP: 3.64

LogS: -4.39

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl]-2-phenylacetamide

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c2c(cccc2)ccc1O)/C=N\NC(=O)Cc1ccccc1

ID: ST098100

Formula: C35H23Cl2N3O5

MW: 636.49

LogP: 9.5

LogS: -7.65

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1E)-2-[4-(N-{(1Z)-2-[2-(4-chlorophenylcarbonyloxy)phenyl]-1-azavinyl}carba moyl)phenyl]-2-azavinyl}phenyl 4-chlorobenzoate

Rotation Bonds: 7

Lipinski: 2

N+O: 8

Chiral Centers: 0

Smiles: C(Oc1c(/C=N\c2ccc(C(N\N=C/c3c(OC(c4ccc(cc4)Cl)=O)cccc3)=O)cc2)cccc1)(c1ccc(cc1)Cl)=O

ID: ST098101

Formula: C22H16Cl2N2O3

MW: 427.29

LogP: 6.45

LogS: -5.7

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1E)-2-[(2,4-dichlorophenyl)carbonylamino]-2-azavinyl}phenyl 3-methylbenzoa te

Rotation Bonds: 6

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: c1(c(cc(cc1)Cl)Cl)C(N\N=C\c1c(OC(c2cc(C)ccc2)=O)cccc1)=O

ID: ST098102

Formula: C13H10N4O5

MW: 302.25

LogP: 0.43

LogS: -2.98

Acceptors: 5

Donors: 3

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,4-dihydroxy-5-nitrophenyl)-1-azavinyl]-3-pyridylcarboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 9

Chiral Centers: 0

Smiles: c1([N+]([O-])=O)cc(/C=N\NC(c2cnccc2)=O)c(cc1O)O

ID: ST098103

Formula: C23H16N4O4

MW: 412.4

LogP: 4.24

LogS: -4.92

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: 8-((1Z)-2-phenyl-2-azavinyl)-2-amino-5-hydroxy-4-(3-nitrophenyl)-4H-chromene-3 -carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 8

Chiral Centers: 1

Smiles: C=1(C(c2c(ccc(c2OC1N)/C=N/c1ccccc1)O)c1cc([N+]([O-])=O)ccc1)C#N

ID: ST098104

Formula: C16H16N2O3

MW: 284.31

LogP: 3.39

LogS: -4.05

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-3-methoxyphenyl)-1-azavinyl](3-methylphenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1cc(C)ccc1)(N\N=C\c1c(c(OC)ccc1)O)=O

ID: ST098105

Formula: C17H13BrN2O4

MW: 389.21

LogP: 0.98

LogS: -3.81

Acceptors: 4

Donors: 0

Oil: SOLID

IUPACNAME: 2-[(1E)-2-(5-bromo-2,4-dimethoxyphenyl)-1-azavinyl]benzo[c]azoline-1,3-dione

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: N1(C(c2ccccc2C1=O)=O)\N=C\c1c(cc(c(c1)Br)OC)OC

ID: ST098106

Formula: C14H13N3O3

MW: 271.28

LogP: 0.9

LogS: -3.13

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,4-dihydroxyphenyl)-1-azaprop-1-enyl]-3-pyridylcarboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(c(cc(cc1)O)O)/C(=N\NC(c1cnccc1)=O)C

ID: ST098107

Formula: C21H25N3O4

MW: 383.45

LogP: 3.83

LogS: -4.74

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]carbamoyl}phenyl)pentanamide

Rotation Bonds: 8

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(c1cc(NC(=O)CCCC)ccc1)(N\N=C\c1c(cc(cc1)OC)OC)=O

ID: ST098108

Formula: C19H20BrN3O3

MW: 418.29

LogP: 4.19

LogS: -4.65

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-(3-{N-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)pentanam ide

Rotation Bonds: 7

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1cc(NC(=O)CCCC)ccc1)(N\N=C\c1c(ccc(c1)Br)O)=O

ID: ST098109

Formula: C15H12Cl2N2O3

MW: 339.18

LogP: 3.84

LogS: -4.27

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-3-methoxyphenyl)-1-azavinyl](3,4-dichlorophenyl)carboxami de

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1cc(Cl)c(cc1)Cl)(N\N=C\c1c(c(OC)ccc1)O)=O

ID: ST098110

Formula: C15H15N3O3

MW: 285.3

LogP: 1.35

LogS: -3.59

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]-3-pyridylcarboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1cnccc1)(N\N=C\c1c(cc(cc1)OC)OC)=O

ID: ST098111

Formula: C14H16FN5

MW: 273.31

LogP: 2.11

LogS: -3.66

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-3-[(4-fluorophenyl)amino]-2-(iminopiperidylmethyl)-3-azaprop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccc(cc1)F)C#N)(N1CCCCC1)=N

ID: ST098112

Formula: C15H16F3N5

MW: 323.32

LogP: 2.62

LogS: -3.89

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminopiperidylmethyl)-3-{[2-(trifluoromethyl)phenyl]amino}-3-azaprop-2 -enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1c(C(F)(F)F)cccc1)C#N)(N1CCCCC1)=N

ID: ST098113

Formula: C14H16FN5

MW: 273.31

LogP: 2.02

LogS: -3.62

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-3-[(2-fluorophenyl)amino]-2-(iminopiperidylmethyl)-3-azaprop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1c(F)cccc1)C#N)(N1CCCCC1)=N

ID: ST098114

Formula: C20H14N2O2

MW: 314.34

LogP: 4.12

LogS: -4.52

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: 3-amino-9-hydroxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccccc1)c1c(cc2)ccc(c1)O)N)C#N

ID: ST098115

Formula: C20H14N2O2

MW: 314.34

LogP: 3.95

LogS: -4.45

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: 2-amino-10-hydroxy-4-phenyl-4H-benzo[g]chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccccc1)cc1c(cccc1)c2O)N)C#N

ID: ST098116

Formula: C16H12BrN3O

MW: 342.19

LogP: 3.25

LogS: -4.14

Acceptors: 1

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(3-bromophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1cc(Br)ccc1)ccc(N)c2)N)C#N

ID: ST098117

Formula: C24H17ClN2O4S

MW: 464.93

LogP: 6.41

LogS: -5.93

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1E)-2-[(2-methoxyphenyl)carbonylamino]-2-azavinyl}phenyl 3-chlorobenzo[b]t hiophene-2-carboxylate

Rotation Bonds: 6

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: c1(sc2ccccc2c1Cl)C(Oc1c(/C=N\NC(c2c(OC)cccc2)=O)cccc1)=O

ID: ST098118

Formula: C21H12Br4N2O3

MW: 659.95

LogP: 7.62

LogS: -6.24

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-{(1Z)-2-[(4-bromophenyl)carbonylamino]-2-azavinyl}-4,6-dibromophenyl 2-bromo benzoate

Rotation Bonds: 4

Lipinski: 2

N+O: 5

Chiral Centers: 0

Smiles: C(Oc1c(cc(cc1Br)Br)/C=N/NC(c1ccc(cc1)Br)=O)(c1c(Br)cccc1)=O

ID: ST098119

Formula: C25H27N3O2

MW: 401.51

LogP: 6.09

LogS: -5.74

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}[2-(phenylmethoxy)phenyl]carboxa mide

Rotation Bonds: 6

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2ccc(cc2)N(CC)CC)=O)c(OCc2ccccc2)cccc1

ID: ST098120

Formula: C16H13BrCl2N2O3

MW: 432.1

LogP: 4.55

LogS: -4.68

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)-1-azavinyl](2,4-dichlorophenyl)ca rboxamide

Rotation Bonds: 6

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c(cc(cc1)Cl)Cl)C(N\N=C\c1c(c(OCC)cc(c1)Br)O)=O

ID: ST098121

Formula: C15H13FN2O2

MW: 272.28

LogP: 3.21

LogS: -3.99

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-3-methylphenyl)-1-azavinyl](3-fluorophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(c1cc(F)ccc1)(N\N=C\c1c(c(C)ccc1)O)=O

ID: ST098122

Formula: C25H25N3O2

MW: 399.49

LogP: 5.47

LogS: -5.51

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-methoxyphenyl)-1-azavinyl][4-(2-1,2,3,4-tetrahydroisoquinolylmeth yl)phenyl]carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(CN2Cc3ccccc3CC2)cc1)(N\N=C\c1c(OC)cccc1)=O

ID: ST098123

Formula: C24H23N3O2

MW: 385.47

LogP: 5.06

LogS: -5.2

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl][4-(2-1,2,3,4-tetrahydroisoquinolylmeth yl)phenyl]carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(CN2Cc3ccccc3CC2)cc1)(N\N=C\c1c(O)cccc1)=O

ID: ST098124

Formula: C31H29N3O2

MW: 475.59

LogP: 7.14

LogS: -6.44

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-{(1E)-2-[2-(phenylmethoxy)phenyl]-1-azavinyl}[4-(2-1,2,3,4-tetrahydroisoquin olylmethyl)phenyl]carboxamide

Rotation Bonds: 5

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(CN2Cc3ccccc3CC2)cc1)(N\N=C\c1c(OCc2ccccc2)cccc1)=O

ID: ST098125

Formula: C16H13N5O4

MW: 339.31

LogP: 2.39

LogS: -3.9

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-5-nitrophenyl)-1-azavinyl](2-methylbenzimidazol-6-yl)carb oxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 9

Chiral Centers: 0

Smiles: [N+](c1cc(/C=N\NC(c2cc3[nH]c(C)nc3cc2)=O)c(cc1)O)([O-])=O

ID: ST098126

Formula: C17H20N2O

MW: 268.36

LogP: 4.66

LogS: -4.65

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: 2-((1E)-2-phenyl-2-azavinyl)-5-(diethylamino)phenol

Rotation Bonds: 4

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: c1c(N(CC)CC)ccc(c1O)/C=N\c1ccccc1

ID: ST098127

Formula: C18H15FN4O2

MW: 338.34

LogP: 3.43

LogS: -4.33

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-1-azavinyl](3-fluorophenyl )carboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: n1(c(c(/C=N\NC(c2cc(F)ccc2)=O)c(n1)C)O)c1ccccc1

ID: ST098128

Formula: C15H13BrN2O3

MW: 349.18

LogP: 3.36

LogS: -4.08

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-azavinyl]benzamide

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c(c(OC)cc(c1)Br)O)/C=N\NC(=O)c1ccccc1

ID: ST098129

Formula: C17H18N2O4

MW: 314.34

LogP: 3.14

LogS: -4.1

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-3-methoxyphenyl)-1-azavinyl](4-ethoxyphenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(cc1)OCC)(N\N=C\c1c(c(OC)ccc1)O)=O

ID: ST098130

Formula: C15H13BrN2O2

MW: 333.18

LogP: 3.94

LogS: -4.26

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1Z)-2-(2-hydroxy-5-methylphenyl)-1-azavinyl](4-bromophenyl)carboxamide

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c(ccc(c1)C)O)/C=N/NC(c1ccc(cc1)Br)=O

ID: ST098131

Formula: C14H10ClN3O5

MW: 335.7

LogP: 2.94

LogS: -3.91

Acceptors: 5

Donors: 3

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-chloro-2-hydroxy-3-nitrophenyl)-1-azavinyl](2-hydroxyphenyl)carbo xamide

Rotation Bonds: 4

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: c1([N+]([O-])=O)c(c(/C=N\NC(c2c(O)cccc2)=O)cc(c1)Cl)O

ID: ST098132

Formula: C15H14N2O3

MW: 270.29

LogP: 2.95

LogS: -3.78

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-4-methylphenyl)-1-azavinyl](2-hydroxyphenyl)carboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2c(cc(cc2)C)O)=O)c(O)cccc1

ID: ST098133

Formula: C30H29N3O5S

MW: 543.64

LogP: 6.19

LogS: -6.35

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl](2-{[(4-methylphenyl)sulfonyl]benzy lamino}phenyl)carboxamide

Rotation Bonds: 6

Lipinski: 2

N+O: 8

Chiral Centers: 0

Smiles: S(N(c1c(C(N\N=C\c2c(c(OC)ccc2)OC)=O)cccc1)Cc1ccccc1)(c1ccc(cc1)C)(=O)=O

ID: ST098134

Formula: C28H25N3O4S

MW: 499.59

LogP: 6.02

LogS: -6

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl](2-{[(4-methylphenyl)sulfonyl]benzylami no}phenyl)carboxamide

Rotation Bonds: 5

Lipinski: 3

N+O: 7

Chiral Centers: 0

Smiles: S(N(c1c(C(N\N=C\c2c(O)cccc2)=O)cccc1)Cc1ccccc1)(c1ccc(cc1)C)(=O)=O

ID: ST098135

Formula: C25H25N3O2

MW: 399.49

LogP: 5.28

LogS: -5.35

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxyphenyl)-1-azaprop-1-enyl][4-(2-1,2,3,4-tetrahydroisoquinol ylmethyl)phenyl]carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: N(/NC(c1ccc(CN2Cc3ccccc3CC2)cc1)=O)=C(\c1c(O)cccc1)C

ID: ST098136

Formula: C14H10ClFN2O2

MW: 292.7

LogP: 3.19

LogS: -3.95

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-chloro-2-hydroxyphenyl)-1-azavinyl](3-fluorophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(c1cc(F)ccc1)(N\N=C\c1c(ccc(c1)Cl)O)=O

ID: ST098137

Formula: C13H9BrN4O4

MW: 365.14

LogP: 1.13

LogS: -3.39

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(3-bromo-2-hydroxy-5-nitrophenyl)-1-azavinyl]-3-pyridylcarboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1cc(Br)c(c(c1)/C=N\NC(c1cnccc1)=O)O)([O-])=O

ID: ST098138

Formula: C18H16N2O4

MW: 324.34

LogP: 2.29

LogS: -3.87

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1cc(OC)c(cc1)OC)ccc(O)c2)N)C#N

ID: ST098139

Formula: C16H11ClN2O2

MW: 298.73

LogP: 3.23

LogS: -4.01

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: 2-amino-4-(4-chlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccc(cc1)Cl)ccc(O)c2)N)C#N

ID: ST098140

Formula: C21H16N2O2

MW: 328.37

LogP: 4.54

LogS: -4.86

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: 3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccc(cc1)OC)c1c(cc2)cccc1)N)C#N

ID: ST098141

Formula: C17H14N2O3

MW: 294.31

LogP: 2.59

LogS: -3.86

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccc(cc1)OC)ccc(O)c2)N)C#N

ID: ST098142

Formula: C17H14N2O3

MW: 294.31

LogP: 2.71

LogS: -3.89

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: 2-amino-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1c(OC)cccc1)ccc(O)c2)N)C#N

ID: ST098143

Formula: C13H14FN5O

MW: 275.29

LogP: 0.32

LogS: -3.08

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-3-[(2-fluorophenyl)amino]-2-(iminomorpholin-4-ylmethyl)-3-azaprop-2-eneni trile

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1c(F)cccc1)C#N)(N1CCOCC1)=N

ID: ST098144

Formula: C14H14F3N5O

MW: 325.29

LogP: 0.93

LogS: -3.36

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminomorpholin-4-ylmethyl)-3-{[3-(trifluoromethyl)phenyl]amino}-3-azap rop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1cc(C(F)(F)F)ccc1)C#N)(N1CCOCC1)=N

ID: ST098145

Formula: C14H14F3N5O

MW: 325.29

LogP: 0.91

LogS: -3.35

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminomorpholin-4-ylmethyl)-3-{[2-(trifluoromethyl)phenyl]amino}-3-azap rop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1c(C(F)(F)F)cccc1)C#N)(N1CCOCC1)=N

ID: ST098146

Formula: C15H19N5O

MW: 285.35

LogP: 1.96

LogS: -3.7

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminopiperidylmethyl)-3-[(2-methoxyphenyl)amino]-3-azaprop-2-enenitril e

Rotation Bonds: 2

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1c(OC)cccc1)C#N)(N1CCCCC1)=N

ID: ST098147

Formula: C15H19N5O

MW: 285.35

LogP: 1.95

LogS: -3.71

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminopiperidylmethyl)-3-[(4-methoxyphenyl)amino]-3-azaprop-2-enenitril e

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccc(cc1)OC)C#N)(N1CCCCC1)=N

ID: ST098148

Formula: C14H17N5O2

MW: 287.32

LogP: 0.25

LogS: -3.17

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminomorpholin-4-ylmethyl)-3-[(2-methoxyphenyl)amino]-3-azaprop-2-enen itrile

Rotation Bonds: 2

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(/C(=N\Nc1c(OC)cccc1)C#N)(N1CCOCC1)=N

ID: ST098149

Formula: C24H20F3N3O7

MW: 519.43

LogP: 4.62

LogS: -5.33

Acceptors: 7

Donors: 1

Oil: SOLID

IUPACNAME: N-((1Z)-2-{2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-1-azavinyl)(3,4,5-tri methoxyphenyl)carboxamide

Rotation Bonds: 5

Lipinski: 3

N+O: 10

Chiral Centers: 0

Smiles: c1([N+]([O-])=O)c(Oc2c(/C=N/NC(c3cc(OC)c(c(c3)OC)OC)=O)cccc2)ccc(C(F)(F)F)c1

ID: ST098150

Formula: C16H14N4O2

MW: 294.31

LogP: 2.74

LogS: -3.91

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl](2-methylbenzimidazol-6-yl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: n1c([nH]c2c1ccc(C(N\N=C\c1c(O)cccc1)=O)c2)C

ID: ST098151

Formula: C13H14FN5O

MW: 275.29

LogP: 0.4

LogS: -3.12

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-3-[(4-fluorophenyl)amino]-2-(iminomorpholin-4-ylmethyl)-3-azaprop-2-eneni trile

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccc(cc1)F)C#N)(N1CCOCC1)=N

ID: ST098152

Formula: C14H16FN5

MW: 273.31

LogP: 2.09

LogS: -3.65

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-3-[(3-fluorophenyl)amino]-2-(iminopiperidylmethyl)-3-azaprop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1cc(F)ccc1)C#N)(N1CCCCC1)=N

ID: ST098153

Formula: C14H16N6O2

MW: 300.32

LogP: 1.89

LogS: -3.67

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminopiperidylmethyl)-3-[(2-nitrophenyl)amino]-3-azaprop-2-enenitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1c(N\N=C(\C(N2CCCCC2)=N)C#N)cccc1)([O-])=O

ID: ST098154

Formula: C13H15N5O

MW: 257.3

LogP: 0.44

LogS: -3.11

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminomorpholin-4-ylmethyl)-3-(phenylamino)-3-azaprop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccccc1)C#N)(N1CCOCC1)=N

ID: ST098155

Formula: C15H20ClN5

MW: 305.81

LogP: 3.33

LogS: -4.21

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2Z)-2-[(dipropylamino)iminomethyl]-3-[(4-chlorophenyl)amino]-3-azaprop-2-enen itrile

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N)N(CCC)CCC)(=N/Nc1ccc(cc1)Cl)C#N

ID: ST098156

Formula: C15H18ClN5

MW: 303.79

LogP: 3.12

LogS: -4.11

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(azaperhydroepinyliminomethyl)-3-[(4-chlorophenyl)amino]-3-azaprop-2-en enitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccc(cc1)Cl)C#N)(N1CCCCCC1)=N

ID: ST098157

Formula: C14H19N5

MW: 257.34

LogP: 2.34

LogS: -3.75

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2Z)-2-[(diethylamino)iminomethyl]-3-[(4-methylphenyl)amino]-3-azaprop-2-eneni trile

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N)N(CC)CC)(=N/Nc1ccc(cc1)C)C#N

ID: ST098158

Formula: C14H16BrN5

MW: 334.22

LogP: 2.76

LogS: -3.95

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-3-[(4-bromophenyl)amino]-2-(iminopiperidylmethyl)-3-azaprop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccc(cc1)Br)C#N)(N1CCCCC1)=N

ID: ST098159

Formula: C13H14BrN5O

MW: 336.19

LogP: 1.06

LogS: -3.41

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-3-[(4-bromophenyl)amino]-2-(iminomorpholin-4-ylmethyl)-3-azaprop-2-enenit rile

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccc(cc1)Br)C#N)(N1CCOCC1)=N

ID: ST098160

Formula: C17H11FN4S

MW: 322.37

LogP: 3.9

LogS: -4.48

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-3-[(2-fluorophenyl)amino]-2-(4-phenyl(1,3-thiazol-2-yl))-3-azaprop-2-enen itrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2c(F)cccc2)C#N)scc1c1ccccc1

ID: ST098161

Formula: C18H11F3N4S

MW: 372.37

LogP: 4.5

LogS: -4.75

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-(4-phenyl(1,3-thiazol-2-yl))-3-{[2-(trifluoromethyl)phenyl]amino}-3-aza prop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2c(C(F)(F)F)cccc2)C#N)scc1c1ccccc1

ID: ST098162

Formula: C13H14FN5O

MW: 275.29

LogP: 0.38

LogS: -3.11

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-3-[(3-fluorophenyl)amino]-2-(iminomorpholin-4-ylmethyl)-3-azaprop-2-eneni trile

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1cc(F)ccc1)C#N)(N1CCOCC1)=N

ID: ST098163

Formula: C13H14N6O3

MW: 302.29

LogP: -0.06

LogS: -3.06

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminomorpholin-4-ylmethyl)-3-[(4-nitrophenyl)amino]-3-azaprop-2-enenit rile

Rotation Bonds: 2

Lipinski: 4

N+O: 9

Chiral Centers: 0

Smiles: [N+](c1ccc(N\N=C(\C(N2CCOCC2)=N)C#N)cc1)([O-])=O

ID: ST098164

Formula: C15H18N6O2

MW: 314.35

LogP: 2.15

LogS: -3.83

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: (2Z)-2-(azaperhydroepinyliminomethyl)-3-[(4-nitrophenyl)amino]-3-azaprop-2-ene nitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1ccc(N\N=C(/C(N2CCCCCC2)=N)C#N)cc1)([O-])=O

ID: ST098165

Formula: C14H16N6O2

MW: 300.32

LogP: 1.65

LogS: -3.6

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: (2Z)-2-(iminopiperidylmethyl)-3-[(4-nitrophenyl)amino]-3-azaprop-2-enenitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1ccc(N\N=C(/C(N2CCCCC2)=N)C#N)cc1)([O-])=O

ID: ST098166

Formula: C14H16N6O2

MW: 300.32

LogP: 1.83

LogS: -3.65

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: (2Z)-2-(iminopiperidylmethyl)-3-[(3-nitrophenyl)amino]-3-azaprop-2-enenitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1cc(N\N=C(/C(N2CCCCC2)=N)C#N)ccc1)([O-])=O

ID: ST098167

Formula: C16H21N5O

MW: 299.38

LogP: 2.45

LogS: -3.94

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(azaperhydroepinyliminomethyl)-3-[(4-methoxyphenyl)amino]-3-azaprop-2-e nenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccc(cc1)OC)C#N)(N1CCCCCC1)=N

ID: ST098168

Formula: C14H17N5O2

MW: 287.32

LogP: 0.25

LogS: -3.17

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminomorpholin-4-ylmethyl)-3-[(4-methoxyphenyl)amino]-3-azaprop-2-enen itrile

Rotation Bonds: 1

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccc(cc1)OC)C#N)(N1CCOCC1)=N

ID: ST098169

Formula: C21H16N2O2

MW: 328.37

LogP: 4.63

LogS: -4.89

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(2-methoxyphenyl)-4H-benzo[g]chromene-3-carbonitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C=1(C(c2cc3ccccc3cc2OC1N)c1c(OC)cccc1)C#N

ID: ST098170

Formula: C20H13FN2O

MW: 316.33

LogP: 4.72

LogS: -4.81

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 3-amino-1-(2-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 3

Chiral Centers: 1

Smiles: C=1(C(c2c3c(cccc3)ccc2OC1N)c1c(F)cccc1)C#N

ID: ST098171

Formula: C17H14N2O3

MW: 294.31

LogP: 2.59

LogS: -3.85

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: 2-amino-7-hydroxy-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1cc(OC)ccc1)ccc(O)c2)N)C#N

ID: ST098172

Formula: C21H16N2O2

MW: 328.37

LogP: 4.54

LogS: -4.86

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: 3-amino-1-(3-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C=1(C(c2c3c(cccc3)ccc2OC1N)c1cc(OC)ccc1)C#N

ID: ST098173

Formula: C21H16N2O

MW: 312.37

LogP: 5.03

LogS: -4.97

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 3-amino-1-(4-methylphenyl)-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 3

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccc(cc1)C)c1c(cc2)cccc1)N)C#N

ID: ST098174

Formula: C18H13N5O2S

MW: 363.4

LogP: 3.93

LogS: -4.66

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(4-methylphenyl)(1,3-thiazol-2-yl)]-3-[(4-nitrophenyl)amino]-3-azapr op-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc([N+]([O-])=O)cc2)C#N)scc1c1ccc(cc1)C

ID: ST098175

Formula: C18H13ClN4S

MW: 352.85

LogP: 4.86

LogS: -4.93

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(4-chlorophenyl)(1,3-thiazol-2-yl)]-3-[(4-methylphenyl)amino]-3-azap rop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)C)C#N)scc1c1ccc(cc1)Cl

ID: ST098176

Formula: C18H14N4S

MW: 318.4

LogP: 4.51

LogS: -4.74

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-3-[(4-methylphenyl)amino]-2-(4-phenyl(1,3-thiazol-2-yl))-3-azaprop-2-enen itrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)C)C#N)scc1c1ccccc1

ID: ST098177

Formula: C20H18N4S

MW: 346.46

LogP: 5.33

LogS: -5.15

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(2,4-dimethylphenyl)(1,3-thiazol-2-yl)]-3-[(4-methylphenyl)amino]-3- azaprop-2-enenitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)C)C#N)scc1c1c(cc(cc1)C)C

ID: ST098178

Formula: C18H13FN4S

MW: 336.39

LogP: 4.34

LogS: -4.7

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(4-fluorophenyl)(1,3-thiazol-2-yl)]-3-[(4-methylphenyl)amino]-3-azap rop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)C)C#N)scc1c1ccc(cc1)F

ID: ST098179

Formula: C18H16N2O4

MW: 324.34

LogP: 2.52

LogS: -3.95

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: 2-amino-4-(2,5-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: C=1(C(c2c(ccc(c2)OC)OC)c2ccc(cc2OC1N)O)C#N

ID: ST098180

Formula: C20H13BrN2O

MW: 377.24

LogP: 5.36

LogS: -5.1

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 3

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccc(cc1)Br)c1c(cc2)cccc1)N)C#N

ID: ST098181

Formula: C16H12FN3O

MW: 281.29

LogP: 2.56

LogS: -3.83

Acceptors: 1

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(4-fluorophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccc(cc1)F)ccc(N)c2)N)C#N

ID: ST098182

Formula: C17H15N3O2

MW: 293.33

LogP: 2.44

LogS: -3.9

Acceptors: 2

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccc(cc1)OC)ccc(N)c2)N)C#N

ID: ST098183

Formula: C17H15N3O2

MW: 293.33

LogP: 2.44

LogS: -3.9

Acceptors: 2

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1cc(OC)ccc1)ccc(N)c2)N)C#N

ID: ST098184

Formula: C18H11F3N4S

MW: 372.37

LogP: 4.52

LogS: -4.76

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-(4-phenyl(1,3-thiazol-2-yl))-3-{[3-(trifluoromethyl)phenyl]amino}-3-aza prop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2cc(C(F)(F)F)ccc2)C#N)scc1c1ccccc1

ID: ST098185

Formula: C19H16N4S

MW: 332.43

LogP: 4.85

LogS: -4.92

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(2,4-dimethylphenyl)(1,3-thiazol-2-yl)]-3-(phenylamino)-3-azaprop-2- enenitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccccc2)C#N)scc1c1c(cc(cc1)C)C

ID: ST098186

Formula: C17H11FN4S

MW: 322.37

LogP: 3.86

LogS: -4.48

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(4-fluorophenyl)(1,3-thiazol-2-yl)]-3-(phenylamino)-3-azaprop-2-enen itrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccccc2)C#N)scc1c1ccc(cc1)F

ID: ST098187

Formula: C18H14N4S

MW: 318.4

LogP: 4.43

LogS: -4.72

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(4-methylphenyl)(1,3-thiazol-2-yl)]-3-(phenylamino)-3-azaprop-2-enen itrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccccc2)C#N)scc1c1ccc(cc1)C

ID: ST098188

Formula: C17H11ClN4S

MW: 338.82

LogP: 4.38

LogS: -4.7

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(4-chlorophenyl)(1,3-thiazol-2-yl)]-3-(phenylamino)-3-azaprop-2-enen itrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccccc2)C#N)scc1c1ccc(cc1)Cl

ID: ST098189

Formula: C18H13FN4OS

MW: 352.39

LogP: 3.66

LogS: -4.53

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(4-fluorophenyl)(1,3-thiazol-2-yl)]-3-[(4-methoxyphenyl)amino]-3-aza prop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)OC)C#N)scc1c1ccc(cc1)F

ID: ST098190

Formula: C20H18N4OS

MW: 362.46

LogP: 4.65

LogS: -4.98

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(2,4-dimethylphenyl)(1,3-thiazol-2-yl)]-3-[(4-methoxyphenyl)amino]-3 -azaprop-2-enenitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)OC)C#N)scc1c1c(cc(cc1)C)C

ID: ST098191

Formula: C19H16N4OS

MW: 348.43

LogP: 4.24

LogS: -4.78

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-3-[(4-methoxyphenyl)amino]-2-[4-(4-methylphenyl)(1,3-thiazol-2-yl)]-3-aza prop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)OC)C#N)scc1c1ccc(cc1)C

ID: ST098192

Formula: C18H13ClN4OS

MW: 368.85

LogP: 4.18

LogS: -4.76

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-[4-(4-chlorophenyl)(1,3-thiazol-2-yl)]-3-[(4-methoxyphenyl)amino]-3-aza prop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)OC)C#N)scc1c1ccc(cc1)Cl

ID: ST098193

Formula: C15H18FN5

MW: 287.34

LogP: 2.61

LogS: -3.89

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(azaperhydroepinyliminomethyl)-3-[(4-fluorophenyl)amino]-3-azaprop-2-en enitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1ccc(cc1)F)C#N)(N1CCCCCC1)=N

ID: ST098194

Formula: C16H18F3N5

MW: 337.35

LogP: 3.14

LogS: -4.13

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(azaperhydroepinyliminomethyl)-3-{[3-(trifluoromethyl)phenyl]amino}-3-a zaprop-2-enenitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1cc(C(F)(F)F)ccc1)C#N)(N1CCCCCC1)=N

ID: ST098195

Formula: C15H18FN5

MW: 287.34

LogP: 2.59

LogS: -3.88

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(azaperhydroepinyliminomethyl)-3-[(3-fluorophenyl)amino]-3-azaprop-2-en enitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(=N\Nc1cc(F)ccc1)C#N)(N1CCCCCC1)=N

ID: ST098196

Formula: C21H19NOS

MW: 333.45

LogP: 6.2

LogS: -5.34

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-(triphenylmethylthio)acetamide

Rotation Bonds: 2

Lipinski: 3

N+O: 2

Chiral Centers: 0

Smiles: C(SCC(=O)N)(c1ccccc1)(c1ccccc1)c1ccccc1

ID: ST098197

Formula: C16H12N4O3

MW: 308.3

LogP: 2.28

LogS: -3.83

Acceptors: 3

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(4-nitrophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccc([N+]([O-])=O)cc1)ccc(N)c2)N)C#N

ID: ST098198

Formula: C16H20N2O4S

MW: 336.41

LogP: 2.44

LogS: -4.19

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: [(2,5-diethoxyphenyl)sulfonyl](3-pyridylmethyl)amine

Rotation Bonds: 7

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: S(c1cc(OCC)ccc1OCC)(NCc1cnccc1)(=O)=O

ID: ST098199

Formula: C26H18BrNS

MW: 456.41

LogP: 9.83

LogS: -6.97

Acceptors: 0

Donors: 0

Oil: SOLID

IUPACNAME: 10-{4-[(1E)-2-(4-bromophenyl)-1-azavinyl]phenyl}-10H-dibenzo[b,e]thiin

Rotation Bonds: 0

Lipinski: 3

N+O: 1

Chiral Centers: 0

Smiles: S1c2c(cccc2)C(c2c1cccc2)c1ccc(/N=C\c2ccc(cc2)Br)cc1

ID: ST098200

Formula: C23H20N4O7

MW: 464.43

LogP: 2.46

LogS: -4.38

Acceptors: 7

Donors: 3

Oil: SOLID

IUPACNAME: 3-[(1E)-2-(2-hydroxy-3-methoxyphenyl)-1-azavinyl]-2-(2-hydroxy-3-methoxyphenyl )-7-nitro-1,2,3-trihydroquinazolin-4-one

Rotation Bonds: 7

Lipinski: 4

N+O: 11

Chiral Centers: 1

Smiles: N1(C(Nc2c(C1=O)ccc([N+]([O-])=O)c2)c1c(c(OC)ccc1)O)\N=C\c1c(c(OC)ccc1)O

ID: ST098201

Formula: C13H12N4O2S2

MW: 320.4

LogP: 1.59

LogS: -3.86

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: [(5-methylbenzo[c]1,2,5-thiadiazol-4-yl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 2

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(S(NCc2ccncc2)(=O)=O)c2c(nsn2)ccc1C

ID: ST098202

Formula: C24H20N6O3S

MW: 472.53

LogP: 3.98

LogS: -5.26

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: methyl 2-({(1E)-2-[4-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(1,3-thiaz ol-2-yl)]-2-cyano-1-azavinyl}amino)benzoate

Rotation Bonds: 4

Lipinski: 4

N+O: 9

Chiral Centers: 0

Smiles: c1(c(n(c2ccccc2)n(c1C)C)=O)c1nc(/C(=N\Nc2c(C(=O)OC)cccc2)C#N)sc1

ID: ST098203

Formula: C13H14N2O2S

MW: 262.33

LogP: 2.11

LogS: -3.78

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: [(4-methylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: S(NCc1ccncc1)(c1ccc(cc1)C)(=O)=O

ID: ST098204

Formula: C20H20FN3O

MW: 337.4

LogP: 4.62

LogS: -4.87

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-7-(diethylamino)-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1c(F)cccc1)ccc(N(CC)CC)c2)N)C#N

ID: ST098205

Formula: C26H27NO4S

MW: 449.57

LogP: 6.98

LogS: -6.03

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 3-[4-(methylethoxy)phenyl]-3-(2-phenyl-2-phenylthioacetylamino)propanoic acid

Rotation Bonds: 7

Lipinski: 3

N+O: 5

Chiral Centers: 2

Smiles: C(NC(CC(=O)O)c1ccc(OC(C)C)cc1)(C(Sc1ccccc1)c1ccccc1)=O

ID: ST098206

Formula: C26H20N3O5P

MW: 485.44

LogP: 4.61

LogS: -5.48

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: N-{(1E)-2-[2-(diphenylcarbonyloxy)phenyl]-1-azavinyl}(4-nitrophenyl)carboxamid e

Rotation Bonds: 3

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: P(Oc1c(/C=N\NC(c2ccc([N+]([O-])=O)cc2)=O)cccc1)(=O)(c1ccccc1)c1ccccc1

ID: ST098207

Formula: C25H25NO4S

MW: 435.54

LogP: 6.42

LogS: -5.78

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 3-(4-ethoxyphenyl)-3-(2-phenyl-2-phenylthioacetylamino)propanoic acid

Rotation Bonds: 7

Lipinski: 3

N+O: 5

Chiral Centers: 2

Smiles: C(NC(CC(=O)O)c1ccc(cc1)OCC)(C(Sc1ccccc1)c1ccccc1)=O

ID: ST098208

Formula: C14H16N2O3S

MW: 292.36

LogP: 2.13

LogS: -3.89

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(4-methoxyphenyl)sulfonyl](2-(4-pyridyl)ethyl)amine

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1ccc(cc1)OC)(=O)(=O)NCCc1ccncc1

ID: ST098209

Formula: C23H16BrClN2O3

MW: 483.75

LogP: 5.66

LogS: -5.39

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: 2-amino-4-{5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}-7-hydroxy-4H-chromene-3- carbonitrile

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C=1(C(c2c(OCc3ccc(cc3)Cl)ccc(c2)Br)c2ccc(cc2OC1N)O)C#N

ID: ST098210

Formula: C24H21N3O4

MW: 415.45

LogP: 3.75

LogS: -4.8

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME:

Rotation Bonds: 2

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: N12C(C3(C(=C(N)Oc4c3ccc(O)c4)C#N)c3c2c(C(C)=CC1(C)C)cc(c3)OC)=O

ID: ST098211

Formula: C24H23N3O3

MW: 401.47

LogP: 4.53

LogS: -5.01

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME:

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 2

Smiles: N12C(C3(C(=C(N)Oc4c3ccc(O)c4)C#N)c3c2c(C(C)CC1(C)C)ccc3C)=O

ID: ST098212

Formula: C25H25N3O3

MW: 415.49

LogP: 4.97

LogS: -5.23

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME:

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 2

Smiles: N12C(C3(C(=C(N)Oc4c3ccc(O)c4)C#N)c3c2c(C(C)CC1(C)C)cc(c3C)C)=O

ID: ST098213

Formula: C20H14N4O4

MW: 374.36

LogP: 3.47

LogS: -4.59

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-6-methyl-4-(3-nitrophenyl)-5-oxo-6-hydro-4H-pyrano[3,2-c]quinoline-3-c arbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 8

Chiral Centers: 1

Smiles: c12c(OC(N)=C(C2c2cc([N+]([O-])=O)ccc2)C#N)c2ccccc2n(c1=O)C

ID: ST098214

Formula: C21H21NO

MW: 303.4

LogP: 6.11

LogS: -5.29

Acceptors: 1

Donors: 3

Oil: SOLID

IUPACNAME: (2-aminophenyl)bis(2-methylphenyl)methan-1-ol

Rotation Bonds: 4

Lipinski: 3

N+O: 2

Chiral Centers: 0

Smiles: C(c1c(N)cccc1)(c1c(C)cccc1)(c1c(C)cccc1)O

ID: ST098215

Formula: C20H11N3O5

MW: 373.32

LogP: 1.58

LogS: -3.96

Acceptors: 5

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(4-nitrophenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 8

Chiral Centers: 1

Smiles: C1(c2c(cccc2)C(C2=C1OC(=C(C2c1ccc(cc1)[N+]([O-])=O)C#N)N)=O)=O

ID: ST098216

Formula: C20H11N3O5

MW: 373.32

LogP: 1.56

LogS: -3.95

Acceptors: 5

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(3-nitrophenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 8

Chiral Centers: 1

Smiles: C1(c2c(cccc2)C(C2=C1OC(=C(C2c1cccc(c1)[N+]([O-])=O)C#N)N)=O)=O

ID: ST098217

Formula: C13H13FN2O2S

MW: 280.32

LogP: 2.05

LogS: -3.77

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: [(4-fluoro-3-methylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: N(Cc1ccncc1)S(c1cc(c(F)cc1)C)(=O)=O

ID: ST098218

Formula: C13H13FN2O3S

MW: 296.32

LogP: 1.38

LogS: -3.61

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(5-fluoro-2-methoxyphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: N(Cc1ccncc1)S(c1cc(ccc1OC)F)(=O)=O

ID: ST098219

Formula: C8H7N3O2

MW: 177.16

LogP: 0.69

LogS: -2.84

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-benzo[2,3-c]1,2,5-oxadiazol-4-ylacetamide

Rotation Bonds: 0

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c12cccc(c1non2)NC(C)=O

ID: ST098220

Formula: C22H18N2

MW: 310.4

LogP: 6.09

LogS: -5.45

Acceptors: 0

Donors: 0

Oil: SOLID

IUPACNAME: (triphenylmethyl)imidazole

Rotation Bonds: 0

Lipinski: 3

N+O: 2

Chiral Centers: 0

Smiles: c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

ID: ST098221

Formula: C22H28N2O3

MW: 368.48

LogP: 6.09

LogS: -5.34

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl][3,5-bis(tert-butyl)-2-hydroxyphenyl]ca rboxamide

Rotation Bonds: 5

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: c1(c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)C(N\N=C\c1c(O)cccc1)=O

ID: ST098222

Formula: C13H13BrN2O3S

MW: 357.23

LogP: 2.07

LogS: -3.91

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(4-bromo-3-methoxyphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1cc(OC)c(cc1)Br)(NCc1ccncc1)(=O)=O

ID: ST098223

Formula: C14H15BrN2O3S

MW: 371.25

LogP: 2.6

LogS: -4.15

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(4-bromo-3-ethoxyphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1cc(OCC)c(cc1)Br)(NCc1ccncc1)(=O)=O

ID: ST098224

Formula: C19H20N2O3S

MW: 356.45

LogP: 3.98

LogS: -4.85

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(4-propoxynaphthyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1c2c(cccc2)c(cc1)OCCC)(NCc1ccncc1)(=O)=O

ID: ST098225

Formula: C15H18N2O3S

MW: 306.39

LogP: 2.55

LogS: -4.1

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(4-ethoxy-3-methylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1cc(C)c(cc1)OCC)(NCc1ccncc1)(=O)=O

ID: ST098226

Formula: C16H20N2O3S

MW: 320.41

LogP: 3.04

LogS: -4.34

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(5-ethoxy-2,4-dimethylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1cc(OCC)c(cc1C)C)(NCc1ccncc1)(=O)=O

ID: ST098227

Formula: C15H18N2O3S

MW: 306.39

LogP: 2.43

LogS: -4.07

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(4-methoxy-2,3-dimethylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1c(c(C)c(cc1)OC)C)(NCc1ccncc1)(=O)=O

ID: ST098228

Formula: C16H20N2O3S

MW: 320.41

LogP: 3.01

LogS: -4.32

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(4-ethoxy-2,3-dimethylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1c(c(C)c(cc1)OCC)C)(NCc1ccncc1)(=O)=O

ID: ST098229

Formula: C14H15ClN2O3S

MW: 326.8

LogP: 2.38

LogS: -4.06

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(5-chloro-2-methoxy-4-methylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1cc(Cl)c(cc1OC)C)(NCc1ccncc1)(=O)=O

ID: ST098230

Formula: C14H15BrN2O3S

MW: 371.25

LogP: 2.49

LogS: -4.12

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(5-bromo-2-methoxy-4-methylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1cc(Br)c(cc1OC)C)(NCc1ccncc1)(=O)=O

ID: ST098231

Formula: C16H20N2O3S

MW: 320.41

LogP: 3.04

LogS: -4.33

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(4-ethoxy-2,5-dimethylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1cc(C)c(cc1C)OCC)(NCc1ccncc1)(=O)=O

ID: ST098232

Formula: C14H15ClN2O2S

MW: 310.8

LogP: 3.04

LogS: -4.22

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: [(4-chloro-2,5-dimethylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: S(c1cc(C)c(cc1C)Cl)(NCc1ccncc1)(=O)=O

ID: ST098233

Formula: C14H15BrN2O2S

MW: 355.26

LogP: 3.21

LogS: -4.3

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: [(4-bromo-2,5-dimethylphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: S(c1cc(C)c(cc1C)Br)(NCc1ccncc1)(=O)=O

ID: ST098234

Formula: C13H12Cl2N2O3S

MW: 347.22

LogP: 2.36

LogS: -4.04

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: [(2,5-dichloro-4-methoxyphenyl)sulfonyl](4-pyridylmethyl)amine

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1cc(Cl)c(cc1Cl)OC)(NCc1ccncc1)(=O)=O

ID: ST098235

Formula: C16H20N2O2S

MW: 304.41

LogP: 3.43

LogS: -4.42

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: (4-pyridylmethyl)[(2,3,4,5-tetramethylphenyl)sulfonyl]amine

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: S(c1c(c(C)c(c(c1)C)C)C)(NCc1ccncc1)(=O)=O

ID: ST098236

Formula: C18H15F2N3O

MW: 327.33

LogP: 3.64

LogS: -4.43

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(2,6-difluorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c12c(C(C(=C(O1)N)C#N)c1c(cccc1F)F)ccc(c2)N(C)C

ID: ST098237

Formula: C24H25N3O9

MW: 499.48

LogP: 2.75

LogS: -4.69

Acceptors: 9

Donors: 2

Oil: SOLID

IUPACNAME: ethyl 5-[(6-{(1Z)-2-[(2-hydroxyphenyl)carbonylamino]-2-azavinyl}-4,7-dimethoxy -2H-benzo[3,4-d]1,3-dioxolan-5-yl)methyl]-4,5-dihydroisoxazole-3-carboxylate

Rotation Bonds: 10

Lipinski: 4

N+O: 12

Chiral Centers: 1

Smiles: c1(c(c(c2c(c1OC)OCO2)OC)CC1ON=C(C1)C(=O)OCC)/C=N/NC(=O)c1c(cccc1)O

ID: ST098238

Formula: C20H22N2O5

MW: 370.41

LogP: 3.53

LogS: -4.58

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(4,7-dimethoxy-6-propyl(2H-benzo[d]1,3-dioxolan-5-yl))-1-azavinyl]be nzamide

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1(c(c(c2c(c1OC)OCO2)OC)CCC)/C=N\NC(=O)c1ccccc1

ID: ST098239

Formula: C24H25N3O9

MW: 499.48

LogP: 2.8

LogS: -4.7

Acceptors: 9

Donors: 2

Oil: SOLID

IUPACNAME: ethyl 5-[(4-{(1Z)-2-[(2-hydroxyphenyl)carbonylamino]-2-azavinyl}-6,7-dimethoxy -2H-benzo[3,4-d]1,3-dioxolan-5-yl)methyl]-4,5-dihydroisoxazole-3-carboxylate

Rotation Bonds: 10

Lipinski: 4

N+O: 12

Chiral Centers: 1

Smiles: c1(c(c(c2c(c1OC)OCO2)/C=N/NC(=O)c1ccccc1O)CC1ON=C(C1)C(=O)OCC)OC

ID: ST098240

Formula: C27H24FN3O7

MW: 521.5

LogP: 4.52

LogS: -5.36

Acceptors: 7

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(6-{[3-(4-fluorophenyl)(4,5-dihydroisoxazol-5-yl)]methyl}-4,7-dimeth oxy(2H-benzo[d]1,3-dioxolen-5-yl))-1-azavinyl](2-hydroxyphenyl)carboxamide

Rotation Bonds: 7

Lipinski: 3

N+O: 10

Chiral Centers: 1

Smiles: c12c(c(OC)c(c(c1OC)CC1ON=C(C1)c1ccc(cc1)F)/C=N\NC(c1c(O)cccc1)=O)OCO2

ID: ST098241

Formula: C20H22N2O6

MW: 386.4

LogP: 3.18

LogS: -4.41

Acceptors: 6

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(4,7-dimethoxy-6-propyl(2H-benzo[3,4-d]1,3-dioxolen-5-yl))-1-azaviny l](2-hydroxyphenyl)carboxamide

Rotation Bonds: 7

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: c12c(c(c(CCC)c(c1OC)/C=N\NC(c1c(O)cccc1)=O)OC)OCO2

ID: ST098242

Formula: C18H15Cl2N3O

MW: 360.24

LogP: 4.67

LogS: -4.88

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(2,6-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c12c(C(C(=C(O1)N)C#N)c1c(cccc1Cl)Cl)ccc(c2)N(C)C

ID: ST098243

Formula: C19H13N3O

MW: 299.33

LogP: 2.9

LogS: -4.24

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(4-pyridyl)-4H-benzo[h]chromene-3-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c12c(ccc3c2cccc3)C(C(=C(O1)N)C#N)c1ccncc1

ID: ST098244

Formula: C18H16BrN3O3

MW: 402.25

LogP: 2.94

LogS: -4.26

Acceptors: 3

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: COc1c(c(cc(c1)C1c2c(OC(=C1C#N)N)cc(cc2)N)Br)OC

ID: ST098245

Formula: C22H17BrN2O3

MW: 437.29

LogP: 5.1

LogS: -5.24

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: c12c(ccc3c2cccc3)C(C(=C(O1)N)C#N)c1cc(c(c(c1)Br)OC)OC

ID: ST098246

Formula: C20H20ClN3O

MW: 353.85

LogP: 5.08

LogS: -5.08

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-7-(diethylamino)-4-(4-chlorophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c1(ccc(cc1)C1c2c(OC(=C1C#N)N)cc(cc2)N(CC)CC)Cl

ID: ST098247

Formula: C18H16ClN3O

MW: 325.8

LogP: 4.17

LogS: -4.65

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-7-(dimethylamino)-4-(4-chlorophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c12c(ccc(c2)N(C)C)C(C(=C(O1)N)C#N)c1ccc(cc1)Cl

ID: ST098248

Formula: C18H16BrN3O

MW: 370.25

LogP: 4.35

LogS: -4.73

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-7-(dimethylamino)-4-(4-bromophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c12c(ccc(c2)N(C)C)C(C(=C(O1)N)C#N)c1ccc(cc1)Br

ID: ST098249

Formula: C22H16N2O3

MW: 356.38

LogP: 4.72

LogS: -5.01

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: methyl 4-(2-amino-3-cyano-4H-benzo[h]chromen-4-yl)benzoate

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: c12c(ccc3c2cccc3)C(C(=C(O1)N)C#N)c1ccc(cc1)C(OC)=O

ID: ST098250

Formula: C21H21N3O5

MW: 395.41

LogP: 2.52

LogS: -4.39

Acceptors: 5

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(6,7-dimethoxy(2H-benzo[d]1,3-dioxolan-5-yl))-7-(dimethylamino)-4H-c hromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 8

Chiral Centers: 1

Smiles: c12c(ccc(c2)N(C)C)C(C(=C(O1)N)C#N)c1cc2c(c(c1OC)OC)OCO2

ID: ST098251

Formula: C20H20BrN3O3

MW: 430.3

LogP: 4.03

LogS: -4.85

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-7-(dimethylamino)-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbon itrile

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: COc1c(c(cc(c1)C1c2c(OC(=C1C#N)N)cc(cc2)N(C)C)Br)OC

ID: ST098252

Formula: C20H20BrN3O

MW: 398.3

LogP: 5.26

LogS: -5.16

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-7-(diethylamino)-4-(4-bromophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c1(ccc(cc1)C1c2c(OC(=C1C#N)N)cc(cc2)N(CC)CC)Br

ID: ST098253

Formula: C20H19Cl2N3O

MW: 388.3

LogP: 5.64

LogS: -5.33

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(2,3-dichlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c1ccc(c(c1Cl)Cl)C1c2c(OC(=C1C#N)N)cc(cc2)N(CC)CC

ID: ST098254

Formula: C20H19Cl2N3O

MW: 388.3

LogP: 5.57

LogS: -5.31

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(2,4-dichlorophenyl)-7-(diethylamino)-4H-chromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c1(ccc(c(c1)Cl)C1c2c(OC(=C1C#N)N)cc(cc2)N(CC)CC)Cl

ID: ST098255

Formula: C18H16FN3O

MW: 309.34

LogP: 3.63

LogS: -4.41

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: c12c(ccc(c2)N(C)C)C(C(=C(O1)N)C#N)c1cc(ccc1)F

ID: ST098256

Formula: C21H21N3O5

MW: 395.41

LogP: 2.44

LogS: -4.36

Acceptors: 5

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(4,7-dimethoxy(2H-benzo[d]1,3-dioxolan-5-yl))-7-(dimethylamino)-4H-c hromene-3-carbonitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 8

Chiral Centers: 1

Smiles: c12c(ccc(c2)N(C)C)C(C(=C(O1)N)C#N)c1c(c2c(c(c1)OC)OCO2)OC

ID: ST098257

Formula: C22H23N3O4

MW: 393.44

LogP: 3.48

LogS: -4.73

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-7-(diethylamino)-4-(7-methoxy(2H-benzo[d]1,3-dioxolan-5-yl))-4H-chrome ne-3-carbonitrile

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: c12c(ccc(c2)N(CC)CC)C(C(=C(O1)N)C#N)c1cc2c(c(c1)OC)OCO2

ID: ST098258

Formula: C15H11Cl2FN4S

MW: 369.25

LogP: 5.65

LogS: -5.07

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: 3-[(6-chloro-2-fluorophenyl)methylthio]-5-(4-chlorophenyl)-1,2,4-triazole-4-yl amine

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1(c(nnc1SCc1c(F)cccc1Cl)c1ccc(cc1)Cl)N

ID: ST098259

Formula: C15H12Cl2N4S

MW: 351.26

LogP: 5.73

LogS: -5.08

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: 5-(4-chlorophenyl)-3-[(2-chlorophenyl)methylthio]-1,2,4-triazole-4-ylamine

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1(c(nnc1SCc1c(Cl)cccc1)c1ccc(cc1)Cl)N

ID: ST098260

Formula: C15H10Cl3FN4S

MW: 403.69

LogP: 6.12

LogS: -5.29

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: 3-(2,4-dichlorophenyl)-5-[(6-chloro-2-fluorophenyl)methylthio]-1,2,4-triazole- 4-ylamine

Rotation Bonds: 4

Lipinski: 3

N+O: 4

Chiral Centers: 0

Smiles: c1(n(c(SCc2c(F)cccc2Cl)nn1)N)c1c(cc(cc1)Cl)Cl

ID: ST098261

Formula: C14H9Cl4NO2

MW: 365.04

LogP: 4.79

LogS: -4.72

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-(2,4-dichlorophenyl)-2-(2,5-dichlorophenoxy)acetamide

Rotation Bonds: 3

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: N(c1c(cc(cc1)Cl)Cl)C(=O)COc1cc(Cl)ccc1Cl

ID: ST098262

Formula: C19H17Cl2NO4

MW: 394.25

LogP: 3.23

LogS: -4.58

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: 5-chloro-1-[2-(2-chlorophenoxy)ethyl]-3-hydroxy-3-(2-oxopropyl)indolin-2-one

Rotation Bonds: 7

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1(C(c2c(ccc(c2)Cl)N1CCOc1c(Cl)cccc1)(CC(=O)C)O)=O

ID: ST098263

Formula: C11H9ClN2O2S

MW: 268.72

LogP: 4.24

LogS: -4.34

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 4-chloro-3-methylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(C(Oc2cc(C)c(cc2)Cl)=O)c(nns1)C

ID: ST098264

Formula: C10H7BrN2O2S

MW: 299.15

LogP: 3.75

LogS: -4.14

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 4-bromophenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(C(Oc2ccc(cc2)Br)=O)c(nns1)C

ID: ST098265

Formula: C11H7N3O2S

MW: 245.26

LogP: 2.51

LogS: -3.75

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 4-cyanophenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(C(Oc2ccc(C#N)cc2)=O)c(nns1)C

ID: ST098266

Formula: C12H12N2O2S

MW: 248.31

LogP: 4.25

LogS: -4.35

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 2,3-dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(C(Oc2c(c(C)ccc2)C)=O)c(nns1)C

ID: ST098267

Formula: C10H7BrN2O2S

MW: 299.15

LogP: 3.73

LogS: -4.14

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 2-bromophenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(C(Oc2c(Br)cccc2)=O)c(nns1)C

ID: ST098268

Formula: C13H10F3N3O3S

MW: 345.3

LogP: 2.65

LogS: -3.95

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: {N-[2-(trifluoromethyl)phenyl]carbamoyl}methyl 4-methyl-1,2,3-thiadiazole-5-ca rboxylate

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(c(nns1)C)C(OCC(Nc1c(C(F)(F)F)cccc1)=O)=O

ID: ST098269

Formula: C13H8ClN3O2

MW: 273.68

LogP: 2.72

LogS: -3.95

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 5-(5-chloro-4-hydro-1,2,4-triazolo[4,5-a]pyridin-3-yl)-2H-benzo[d]1,3-dioxolan e

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n12c(nnc1cccc2Cl)c1cc2OCOc2cc1

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ID: ST097865

Formula: C10H6O3

MW: 174.16

LogP: 0.11

LogS: -2.7

Acceptors: 3

Donors: 1

Name: 2-Hydroxy-1,4-naphthoquinone, 98+%

CAS: 83-72-7

Oil: SOLID

MDL: MFCD00001678

IUPACNAME: 2-hydroxynaphthalene-1,4-dione

Rotation Bonds: 1

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: C1=C(C(c2ccccc2C1=O)=O)O

ID: ST097866

Formula: C15H22O

MW: 218.34

LogP: 4.84

LogS: -4.55

Acceptors: 1

Donors: 0

Name: (+)-Nootkatone, crystalline, 98+% Crystallizing oil

CAS: 4674-50-4

Oil: OIL

MDL: MFCD00036591

IUPACNAME: (4S,6S,4aR)-4,4a-dimethyl-6-(1-methylvinyl)-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one

Rotation Bonds: 0

Lipinski: 4

N+O: 1

Chiral Centers: 3

Smiles: C=12[C](C[C@@H](C(=C)C)CC2)([C@H](CC(=O)C1)C)C

ID: ST098271

Formula: C12H17NO

MW: 191.27

LogP: 2.19

LogS: -3.48

Acceptors: 1

Donors: 2

Name: (1R,2R)-(-)-2-Benzyloxycyclopentylamine, ChiPros® 99+%, ee 98%

CAS: 181657-56-7

Oil: LIQUID

MDL: MFCD01075750

IUPACNAME: (1R,2R)-2-(phenylmethoxy)cyclopentylamine

Rotation Bonds: 1

Lipinski: 4

N+O: 2

Chiral Centers: 2

Smiles: c1(ccccc1)CO[C@H]1[C@@H](CCC1)N

ID: ST098272

Formula: C11H6ClNO2

MW: 219.63

LogP: 0.33

LogS: -3.01

Acceptors: 2

Donors: 0

Name: N-(4-Chloro-2-butynyl)phthalimide, 97%

CAS: 4819-69-6

Oil: SOLID

MDL: MFCD01318120

IUPACNAME: 2-(3-chloroprop-2-ynyl)benzo[c]azolidine-1,3-dione

Rotation Bonds: 0

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: c1cc2C(N(C(c2cc1)=O)CC#CCl)=O

ID: ST097861

Formula: C6H15ClN2O3

MW: 198.65

LogP: -1.98

LogS: -1.74

Acceptors: 3

Donors: 6

Name: 5-Hydroxy-DL-lysine hydrochloride NP-Derivative 98%

CAS: 13204-98-3

Oil: SOLID

IUPACNAME: 2,6-diamino-5-hydroxyhexanoic acid, chloride

Rotation Bonds: 7

Lipinski: 3

N+O: 5

Chiral Centers: 2

Smiles: C(N)C(CCC(C(O)=O)N)O.Cl

ID: ST097863

Formula: C21H20O12

MW: 464.38

LogP: -3.39

LogS: -2.29

Acceptors: 12

Donors: 8

Name: Spiraeoside [20229-56-5] NP Can be isolated from flowers of Filipendula ulmaria (L.) (aka Spiraea ulmaria or meadowsweet) or from the garden onion (Allium cepa)[1].

CAS: 20229-56-5

Oil: SOLID

IUPACNAME: 2-{4-[(2S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropy ran-2-yloxy)]-3-hydroxyphenyl}-3,5,7-trihydroxychromen-4-one

Rotation Bonds: 8

Lipinski: 2

N+O: 12

Chiral Centers: 5

Smiles: c1(c(oc2cc(O)cc(c2c1=O)O)c1cc(c(OC2O[C@@H]([C@H](C([C@H]2O)O)O)CO)cc1)O)O

ID: ST098270

Formula: C17H22N4O

MW: 298.39

Salt: 2HCl

LogP: 2.36

LogS: -4.1

Acceptors: 1

Donors: 1

Name: Minaprine Dihydrochloride Antidepressant

CAS: 25905-77-5

Oil: SOLID

IUPACNAME: (4-methyl-6-phenylpyridazin-3-yl)(2-morpholin-4-ylethyl)amine

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: Cc1cc(nnc1NCCN1CCOCC1)c1ccccc1

ID: ST097862

Formula: C13H10N2

MW: 194.24

LogP: 4.07

LogS: -4.12

Acceptors: 0

Donors: 1

Name: 2-Phenylbenzimidazole 99%

CAS: 716-79-0

Oil: SOLID

IUPACNAME: 2-phenylbenzimidazole

Rotation Bonds: 0

Lipinski: 4

N+O: 2

Chiral Centers: 0

Smiles: c1ccc2[nH]c(nc2c1)c1ccccc1

ID: ST097860

Formula: C10H17N

MW: 151.25

LogP: 2.83

LogS: -3.49

Acceptors: 0

Donors: 2

Name: 1Adamantylamine 97%

CAS: 768-94-5

Oil: SOLID

IUPACNAME: adamantanylamine

Rotation Bonds: 0

Lipinski: 4

N+O: 1

Chiral Centers: 0

Smiles: C12(CC3CC(C2)CC(C1)C3)N

ID: ST097867

Formula: C6H8Cl2N2O2

MW: 211.05

LogP: -0.06

LogS: -2.76

Acceptors: 2

Donors: 0

Name: 1,3-Dichloro-5-ethyl-5-methylimidazolidine-2,4-dione 97%

CAS: 89415-87-2

Oil: SOLID

IUPACNAME: 1,3-dichloro-5-ethyl-5-methyl-1,3-diazolidine-2,4-dione

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: N1(Cl)C(=O)N(Cl)C(C1=O)(CC)C

ID: ST097864

Formula: C20H14O3

MW: 302.33

LogP: 4.4

LogS: -4.8

Acceptors: 3

Donors: 0

Name: 2'-Methoxy-a-naphthoflavone NP-Derivative

Oil: SOLID

IUPACNAME: 2-(2-methoxyphenyl)benzo[h]chromen-4-one

Rotation Bonds: 2

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: c1(oc2c3c(cccc3)ccc2c(c1)=O)c1c(OC)cccc1

ID: ST097779

Formula: C6H4N8O2

MW: 220.15

Salt: 2H2O

LogP: -2.15

LogS: -1.67

Acceptors: 2

Donors: 4

Oil: SOLID

IUPACNAME: 4,8-di(hydroxyimino)hydro-5H-1,2,3-triazolo[4,5-f]benzotriazole

Rotation Bonds: 2

Lipinski: 4

N+O: 10

Chiral Centers: 0

Smiles: c12c(/c(=N/O)c3c(/c1=N\O)[nH]nn3)[nH]nn2

ID: ST097783

Formula: C6H6N6O6

MW: 258.15

Salt: C2H5OC(O)CH3

LogP: -3.53

LogS: -1.23

Acceptors: 6

Donors: 6

Oil: SOLID

IUPACNAME: 1,2,3,4,5,6-hexa(hydroxyimino)cyclohexane

Rotation Bonds: 6

Lipinski: 3

N+O: 12

Chiral Centers: 0

Smiles: C/1(C(/C(=N/O)C(/C(/C1=N\O)=N/O)=N\O)=N/O)=N/O

ID: ST097927

Formula: C16H24BrNO

MW: 326.28

Salt: HCI

LogP: 5.64

LogS: -4.96

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: [(5-bromo-2-propoxyphenyl)methyl]cyclohexylamine

Rotation Bonds: 6

Lipinski: 4

N+O: 2

Chiral Centers: 0

Smiles: c1(c(ccc(c1)Br)OCCC)CNC1CCCCC1

ID: ST097928

Formula: C16H22ClNO2

MW: 295.81

Salt: HCI

LogP: 4.58

LogS: -4.62

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: [(5-chloro-3-methoxy-2-prop-2-enyloxyphenyl)methyl]cyclopentylamine

Rotation Bonds: 7

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: c1(c(c(OC)cc(c1)Cl)OCC=C)CNC1CCCC1

ID: ST097948

Formula: C8H15NO

MW: 141.21

Salt: HCl

LogP: 0.78

LogS: -2.82

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: quinuclidin-3-ylmethan-1-ol

Rotation Bonds: 2

Lipinski: 4

N+O: 2

Chiral Centers: 1

Smiles: C1CN2CCC1C(C2)CO

ID: ST097805

Formula: C9H7NO2PS

MW: 224.2

Salt: K+

LogP: 0.53

LogS: -3.11

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: phenyl-1,3-thiazol-2-ylphosphinic acid

Rotation Bonds: 0

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: P(c1nccs1)([O-])(=O)c1ccccc1

ID: ST097893

Formula: C9H4N4

MW: 168.16

Salt: Me2NH

LogP: -1.54

LogS: -2.24

Acceptors: 0

Donors: 0

Oil: SOLID

IUPACNAME: (3E)penta-1,3-diene-1,1,5,5-tetracarbonitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(/C#N)(C#N)=C\C=C/C(C#N)C#N

ID: ST097891

Formula: C11H13N3O2S

MW: 251.31

LogP: 3.06

LogS: -3.71

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: 5-[(4-amino-3,5-dimethylpyrazolyl)methyl]thiophene-2-carboxylic acid

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(n(nc(c1N)C)Cc1sc(cc1)C(O)=O)C

ID: ST097892

Formula: C14H7F4N3O2

MW: 325.22

LogP: 3.09

LogS: -3.95

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 7-(4-fluorophenyl)-5-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidine-2-carb oxylic acid

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c12nc(cc(n1nc(c2)C(O)=O)c1ccc(cc1)F)C(F)(F)F

ID: ST097894

Formula: C15H14ClN3O4S

MW: 367.81

LogP: 1.72

LogS: -3.79

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: ethyl 4-carbamoyl-5-[(2-chloro(3-pyridyl))carbonylamino]-3-methylthiophene-2-c arboxylate

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1(c(c(C)c(s1)C(=O)OCC)C(=O)N)NC(c1c(nccc1)Cl)=O

ID: ST097895

Formula: C14H14N6O

MW: 282.3

LogP: 0.15

LogS: -3.3

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: (7-methyl(4-hydro-1,2,4-triazolo[1,5-a]pyrimidin-5-yl))-N-(4-pyridylethyl)carb oxamide

Rotation Bonds: 2

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: c1(n2ncnc2nc(c1)C)C(=O)NC(c1ccncc1)C

ID: ST097896

Formula: C15H6BrN3O2

MW: 340.14

LogP: 1.93

LogS: -3.72

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 2-bromo-11-oxo-10H-dibenzo[b,f]1,4-oxazepine-7,8-dicarbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C1(c2c(Oc3c(N1)cc(C#N)c(c3)C#N)ccc(c2)Br)=O

ID: ST097897

Formula: C24H24N2O4S

MW: 436.53

LogP: 5.16

LogS: -5.31

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)-4-[4-(tert-butyl)phenyl]-5-m ethylthiophene-3-carboxamide

Rotation Bonds: 2

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(c(sc(c1c1ccc(C(C)(C)C)cc1)C)NC(c1cc2c(OCO2)cc1)=O)C(=O)N

ID: ST097898

Formula: C19H17N7O3

MW: 391.39

LogP: 4.23

LogS: -4.99

Acceptors: 3

Donors: 0

Oil: SOLID

IUPACNAME: 2-[(1Z)-2-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-4-nitropyrazolyl)vinyl]-5-phe nyl-1,3,4-oxadiazole

Rotation Bonds: 2

Lipinski: 4

N+O: 10

Chiral Centers: 0

Smiles: n1(\C(c2oc(c3ccccc3)nn2)=C/c2c(nn(c2)C)C)cc([N+]([O-])=O)c(n1)C

ID: ST097899

Formula: C17H14N2

MW: 246.31

LogP: 5.2

LogS: -4.63

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: 3-methyl-4-phenylindeno[3,2-c]pyrazole

Rotation Bonds: 0

Lipinski: 4

N+O: 2

Chiral Centers: 1

Smiles: c12c(n[nH]c2C)c2ccccc2C1c1ccccc1

ID: ST097900

Formula: C15H13ClF2N4OS

MW: 370.81

LogP: 4.89

LogS: -4.93

Acceptors: 1

Donors: 0

Oil: SOLID

IUPACNAME: 2-{[3-(difluoromethyl)-6-methyl(1,2,4-triazolo[3,4-b]1,3,4-thiadiazin-7-yliden e)]methyl}-4-chloro-1-ethoxybenzene

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n12c(sc(/c(n2)C)=C\c2c(ccc(c2)Cl)OCC)nnc1C(F)F

ID: ST097901

Formula: C16H14BrF3N4OS

MW: 447.28

LogP: 4.02

LogS: -4.69

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazolyl]-N-(3-cyano-4,5-dimethyl (2-thienyl))acetamide

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c(sc(c1C)C)NC(Cn1nc(c(c1C1CC1)Br)C(F)(F)F)=O)C#N

ID: ST097902

Formula: C15H17BrN4O3

MW: 381.23

LogP: 4.36

LogS: -4.65

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: (1Z)-2-amino-3-(4-bromo-3,5-dimethylpyrazolyl)-1-azaprop-1-enyl 4-methoxybenzo ate

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: n1(nc(C)c(c1C)Br)C\C(=N\OC(c1ccc(cc1)OC)=O)N

ID: ST097903

Formula: C18H18BrF3N4O3S

MW: 507.33

LogP: 4.66

LogS: -5.14

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: methylethyl 5-{2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]propanoylamino }-4-cyano-3-methylthiophene-2-carboxylate

Rotation Bonds: 5

Lipinski: 3

N+O: 7

Chiral Centers: 1

Smiles: c1(c(sc(c1C)C(OC(C)C)=O)NC(C(n1nc(C(F)(F)F)c(c1C)Br)C)=O)C#N

ID: ST097904

Formula: C11H8F3N3O4

MW: 303.2

LogP: 0.41

LogS: -3.06

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: 5-hydroxy-5-(trifluoromethyl)(2-pyrazolinyl) 4-nitrophenyl ketone

Rotation Bonds: 1

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: N1(C(C(F)(F)F)(CC=N1)O)C(c1ccc([N+]([O-])=O)cc1)=O

ID: ST097905

Formula: C13H15BrN4O

MW: 323.19

LogP: 3.16

LogS: -4.21

Acceptors: 1

Donors: 0

Oil: SOLID

IUPACNAME: (2E)-3-(4-bromo-1-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en -1-one

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c(C)nn(c1C)C)C(=O)/C=C\c1n(C)ncc1Br

ID: ST097906

Formula: C18H19F2N5O2

MW: 375.38

LogP: 1.68

LogS: -4.06

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 3-[4-(difluoromethyl)-2-(methylethyl)-6-oxo(7-hydropyrazolo[3,4-b]pyridin-7-yl )]-N-(4-pyridyl)propanamide

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c12c(n(CCC(Nc3ccncc3)=O)c(cc1C(F)F)=O)nn(c2)C(C)C

ID: ST097907

Formula: C18H23NO4S

MW: 349.45

LogP: 4.65

LogS: -4.93

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: [(3,4-diethoxyphenyl)methyl][(4-methylphenyl)sulfonyl]amine

Rotation Bonds: 6

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c(ccc(c1)CNS(c1ccc(cc1)C)(=O)=O)OCC)OCC

ID: ST097908

Formula: C22H19N5O2

MW: 385.43

LogP: 4.61

LogS: -5.01

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1Z)-2-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-1-azavinyl](2-pyrrolylphen yl)carboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1ccc(n2c(c(/C=N/NC(c3c(n4cccc4)cccc3)=O)c(n2)C)O)cc1

ID: ST097909

Formula: C19H17ClN4O2

MW: 368.82

LogP: 2.86

LogS: -4.39

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[3-({[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2-diazolin-4-ylidene]methyl}amino) phenyl]acetamide

Rotation Bonds: 0

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1ccc(NC(=O)C)cc1N\C=C1/C(N(N=C1C)c1ccc(cc1)Cl)=O

ID: ST097910

Formula: C22H26N4O5

MW: 426.47

LogP: 2.92

LogS: -4.54

Acceptors: 5

Donors: 3

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}-2-(2H,3H-benzo[e]1,4- dioxin-2-ylcarbonylamino)acetamide

Rotation Bonds: 8

Lipinski: 4

N+O: 9

Chiral Centers: 1

Smiles: c1cc2OCC(Oc2cc1)C(NCC(N\N=C\c1c(cc(cc1)N(CC)CC)O)=O)=O

ID: ST097911

Formula: C20H26N4O2

MW: 354.45

LogP: 4

LogS: -4.68

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: N-{(1Z)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}-2-[(2-methylphenyl)am ino]acetamide

Rotation Bonds: 6

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1c(N(CC)CC)ccc(c1O)/C=N/NC(=O)CNc1c(C)cccc1

ID: ST097912

Formula: C16H17N3O3

MW: 299.33

LogP: 2.73

LogS: -3.84

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,4-dihydroxyphenyl)-1-azavinyl][4-(dimethylamino)phenyl]carboxamid e

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(cc1)N(C)C)(N\N=C\c1c(cc(cc1)O)O)=O

ID: ST097913

Formula: C29H42N6O4

MW: 538.69

LogP: 4.37

LogS: -5.56

Acceptors: 4

Donors: 4

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}-N'-{(1E)-2-[4-(diethy lamino)-2-hydroxyphenyl]-1-azavinyl}heptane-1,7-diamide

Rotation Bonds: 15

Lipinski: 3

N+O: 10

Chiral Centers: 0

Smiles: c1c(N(CC)CC)ccc(c1O)/C=N\NC(=O)CCCCCC(N\N=C\c1c(cc(cc1)N(CC)CC)O)=O

ID: ST097914

Formula: C18H27N3O2

MW: 317.43

LogP: 3.7

LogS: -4.45

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}cyclohexylcarboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1c(N(CC)CC)ccc(c1O)/C=N\NC(=O)C1CCCCC1

ID: ST097915

Formula: C19H17ClN4O

MW: 352.82

LogP: 5.25

LogS: -5.09

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-azavinyl](3-chlorophenyl)carbo xamide

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(N\N=C\c1c(n(nc1C)c1ccccc1)C)(c1cc(Cl)ccc1)=O

ID: ST097916

Formula: C18H21N3O3

MW: 327.38

LogP: 3.14

LogS: -4.13

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}(4-hydroxyphenyl)carbo xamide

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1c(N(CC)CC)ccc(c1O)/C=N\NC(c1ccc(cc1)O)=O

ID: ST097917

Formula: C19H18N4O3

MW: 350.38

LogP: 3.42

LogS: -4.42

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-1-azavinyl](2-methoxypheny l)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1ccc(n2c(c(/C=N\NC(c3c(OC)cccc3)=O)c(n2)C)O)cc1

ID: ST097918

Formula: C26H36N6O2

MW: 464.61

LogP: 4.22

LogS: -5.4

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}-N'-{(1E)-2-[4-(diethylamino)phe nyl]-1-azavinyl}butane-1,4-diamide

Rotation Bonds: 8

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: CCN(c1ccc(/C=N\NC(=O)CCC(N\N=C\c2ccc(cc2)N(CC)CC)=O)cc1)CC

ID: ST097919

Formula: C19H19F4N3O3

MW: 413.37

LogP: 3.73

LogS: -4.53

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}-2-(2,3,5,6-tetrafluor ophenoxy)acetamide

Rotation Bonds: 7

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(c(c(F)cc(c1F)F)F)OCC(N\N=C\c1c(cc(cc1)N(CC)CC)O)=O

ID: ST097920

Formula: C28H28N4O2

MW: 452.56

LogP: 6.6

LogS: -6.09

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-{(1E)-2-[4-(diethylamino)-2-hydroxyphenyl]-1-azavinyl}[2-(4-methylphenyl)(4- quinolyl)]carboxamide

Rotation Bonds: 6

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: c1(cc(c2ccc(cc2)C)nc2c1cccc2)C(N\N=C\c1c(cc(N(CC)CC)cc1)O)=O

ID: ST097921

Formula: C19H17ClN4O2

MW: 368.82

LogP: 2.85

LogS: -4.38

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[3-({[1-(3-chlorophenyl)-3-methyl-5-oxo-1,2-diazolin-4-ylidene]methyl}amino) phenyl]acetamide

Rotation Bonds: 0

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1ccc(N2N=C(C)C(/C2=O)=C/Nc2cc(NC(=O)C)ccc2)cc1Cl

ID: ST097922

Formula: C17H19NOS

MW: 285.41

LogP: 5.35

LogS: -4.92

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: 2-phenyl-2-phenylthio-N-propylacetamide

Rotation Bonds: 4

Lipinski: 4

N+O: 2

Chiral Centers: 1

Smiles: C(C(Sc1ccccc1)c1ccccc1)(=O)NCCC

ID: ST097923

Formula: C18H21NOS

MW: 299.44

LogP: 5.85

LogS: -5.14

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: N-(methylpropyl)-2-phenyl-2-phenylthioacetamide

Rotation Bonds: 4

Lipinski: 4

N+O: 2

Chiral Centers: 2

Smiles: C(C(Sc1ccccc1)c1ccccc1)(NC(CC)C)=O

ID: ST097924

Formula: C20H13N3O3

MW: 343.34

LogP: 4.36

LogS: -4.78

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: C=1(C(c2c3c(cccc3)ccc2OC1N)c1cc([N+]([O-])=O)ccc1)C#N

ID: ST097925

Formula: C19H11N3O5

MW: 361.31

LogP: 2.94

LogS: -4.3

Acceptors: 5

Donors: 2

Oil: SOLID

IUPACNAME: 2-amino-4-(3-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 8

Chiral Centers: 1

Smiles: c12c(OC(N)=C(C#N)C1c1cc(ccc1)[N+]([O-])=O)c1c(cccc1)oc2=O

ID: ST097926

Formula: C17H13Cl2N3O

MW: 346.22

LogP: 4.02

LogS: -4.64

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: 4-{[(2,4-dichlorophenyl)amino]methylene}-3-methyl-1-phenyl-1,2-diazolin-5-one

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1ccc(N2N=C(C)C(/C2=O)=C/Nc2c(cc(cc2)Cl)Cl)cc1

ID: ST097929

Formula: C15H14F2N2O3S

MW: 340.35

LogP: 1.92

LogS: -3.69

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: 2-[2-(2,4-difluorophenoxy)acetylamino]-4,5-dimethylthiophene-3-carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c(c(C)c(s1)C)C(=O)N)NC(=O)COc1c(cc(cc1)F)F

ID: ST097930

Formula: C14H9N3O4

MW: 283.24

LogP: 2.09

LogS: -3.51

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 5-phenyl-8-hydropyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1(cc(nc2cc(C(=O)O)nn12)c1ccccc1)C(O)=O

ID: ST097931

Formula: C19H15N3O3

MW: 333.35

LogP: 2.63

LogS: -4.07

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: {2-[(2-hydroxyphenyl)carbonylamino]phenyl}-N-(2-pyridyl)carboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1c(NC(c2c(O)cccc2)=O)cccc1)(Nc1ncccc1)=O

ID: ST097932

Formula: C11H16N2OS

MW: 224.33

LogP: 1.41

LogS: -3.25

Acceptors: 1

Donors: 3

Oil: SOLID

IUPACNAME: 2-({[(2-phenylethyl)amino]thioxomethyl}amino)ethan-1-ol

Rotation Bonds: 5

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: C(=S)(NCCc1ccccc1)NCCO

ID: ST097933

Formula: C14H13Cl2N3O3

MW: 342.18

LogP: 3.02

LogS: -4.21

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: methyl 4-[(2,4-dichlorophenyl)carbonylamino]-1-ethylpyrazole-3-carboxylate

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(c(nn(c1)CC)C(=O)OC)NC(c1c(cc(cc1)Cl)Cl)=O

ID: ST097934

Formula: C26H21N3O

MW: 391.47

LogP: 7.28

LogS: -6.21

Acceptors: 1

Donors: 0

Oil: SOLID

IUPACNAME: 3-methyl-1-phenyl-4-{[1-benzylindol-3-yl]methylene}-1,2-diazolin-5-one

Rotation Bonds: 2

Lipinski: 3

N+O: 4

Chiral Centers: 0

Smiles: C1(=C\c2cn(Cc3ccccc3)c3c2cccc3)/C(=NN(C1=O)c1ccccc1)C

ID: ST097780

Formula: C6H4N4O2

MW: 164.12

LogP: 0.98

LogS: -2.81

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 4,5-dihydro-1,2,5-oxadiazolo[3',4'-3,4]benzo[1,2-c]1,2,5-oxadiazole

Rotation Bonds: 0

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c12c3nonc3CCc2non1

ID: ST097781

Formula: C10H9N3OS

MW: 219.27

LogP: 2.93

LogS: -3.74

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: 2-((2E)-3-phenyl-1,2-diazaprop-2-enylidene)-1,3-thiazolidin-4-one

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1ccc(/C=N\N=C2/NC(=O)CS2)cc1

ID: ST097782

Formula: C6H8N4O3

MW: 184.15

LogP: 0.02

LogS: -2.46

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: 1-(hydroxyimino)-1-[4-((hydroxyimino)ethyl)(1,2,5-oxadiazol-3-yl)]ethane

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1(c(non1)/C(=N\O)C)/C(=N\O)C

ID: ST097784

Formula: C7H9N5O

MW: 179.18

LogP: -1.33

LogS: -2.13

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 3-(2H-1,2,3,4-tetraazol-5-ylamino)cyclohex-2-en-1-one

Rotation Bonds: 0

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(nn[nH]n1)NC1=CC(=O)CCC1

ID: ST097785

Formula: C12H16ClN3O2

MW: 269.73

LogP: 3.85

LogS: -4.19

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: (1Z)-2-amino-2-(2-chloro-4,6-dimethyl(3-pyridyl))-1-azavinyl butanoate

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c(nc(cc1C)C)Cl)/C(=N\OC(=O)CCC)N

ID: ST097786

Formula: C4H6N4O2

MW: 142.12

LogP: 0.52

LogS: -2.41

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: (hydroxyimino)(4-methyl(1,2,5-oxadiazol-3-yl))methylamine

Rotation Bonds: 2

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(nonc1C)/C(N)=N\O

ID: ST097787

Formula: C15H16ClN3O2

MW: 305.76

LogP: 4.97

LogS: -4.72

Acceptors: 2

Donors: 2

Oil: OIL (Gummy)

IUPACNAME: (1E)-2-amino-2-(1,5-dimethylpyrrol-2-yl)-1-azavinyl 2-(4-chlorophenyl)acetate

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n1(c(/C(N)=N/OC(Cc2ccc(cc2)Cl)=O)ccc1C)C

ID: ST097788

Formula: C22H23ClN2O3

MW: 398.89

LogP: 3.8

LogS: -4.94

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 5-(4-chlorophenyl)-1-(2-methoxyethyl)-4-{[(4-methylphenyl)amino]ethylidene}azo lidine-2,3-dione

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1(/C(C(=O)N(C1c1ccc(cc1)Cl)CCOC)=O)=C(\Nc1ccc(cc1)C)C

ID: ST097789

Formula: C14H10FN3OS

MW: 287.32

LogP: 4.72

LogS: -4.67

Acceptors: 1

Donors: 0

Oil: SOLID

IUPACNAME: 1-(2-fluorophenyl)-2-(8-methyl(4-hydro-1,2,4-thiadiazolino[2,3-a]pyridin-2-yli dene))-2-azaethan-1-one

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1ccc(c(C(=O)/N=c2/nc3n(cccc3C)s2)c1)F

ID: ST097790

Formula: C16H14ClF3N2O3S

MW: 406.81

LogP: 3.78

LogS: -4.55

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-(1-{[(4-chlorophenyl)sulfonyl]amino}-2,2,2-trifluoroethyl)(2-methylphenyl)ca rboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C(C(NC(=O)c1ccccc1C)NS(=O)(c1ccc(cc1)Cl)=O)(F)(F)F

ID: ST097791

Formula: C2H4N4

MW: 84.08

LogP: -0.05

LogS: -2.12

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: 5-methyl-1H-1,2,3,4-tetraazole

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: Cc1nnn[nH]1

ID: ST097792

Formula: C17H14BrNO4

MW: 376.21

LogP: 3.14

LogS: -4.29

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: (6-bromo-4-oxochroman-2-yl)-N-(3-methoxyphenyl)carboxamide

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: c12C(CC(Oc1ccc(c2)Br)C(Nc1cc(OC)ccc1)=O)=O

ID: ST097793

Formula: C20H27N3O2

MW: 341.45

LogP: 5.41

LogS: -5.16

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 4-[4-(tert-butyl)phenyl]-5-(3-methoxypropyl)-3-methyl-3-pyrrolino[3,4-d]pyrazo l-6-one

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: c1cc(ccc1C1c2c(C(N1CCCOC)=O)[nH]nc2C)C(C)(C)C

ID: ST097794

Formula: C18H12ClN3

MW: 305.77

LogP: 4.51

LogS: -4.75

Acceptors: 0

Donors: 0

Oil: SOLID

IUPACNAME: 2-chloro-8-(phenylmethylene)-5,6,7-trihydroquinoline-3,4-dicarbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: C(#N)c1c(c2c(/C(CCC2)=C/c2ccccc2)nc1Cl)C#N

ID: ST097795

Formula: C16H15BrN2O2

MW: 347.21

LogP: 5.89

LogS: -5.14

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 4-[4-(tert-butyl)phenoxy]-6-bromobenzo[c]1,2,5-oxadiazole

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c12c(cc(cc1non2)Br)Oc1ccc(C(C)(C)C)cc1

ID: ST097796

Formula: C7H4N4

MW: 144.14

LogP: 0.45

LogS: -2.62

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: benzotriazole-5-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1nc2cc(C#N)ccc2[nH]1

ID: ST097797

Formula: C16H19N3O3S

MW: 333.41

LogP: 2.46

LogS: -4.13

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-ylthio]acetic acid

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 2

Smiles: c1(N2CC(C)OC(C2)C)nc2ccccc2nc1SCC(=O)O

ID: ST097798

Formula: C16H20N2O4

MW: 304.35

LogP: 3

LogS: -3.99

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 3-[(2-furylcarbonylamino)azamethylene]-4,7,7-trimethylbicyclo[2.2.1]heptanecar boxylic acid

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 2

Smiles: C1(C2(C\C(=N/NC(c3occc3)=O)C1(C)CC2)C(=O)O)(C)C

ID: ST097799

Formula: C22H23N3O2

MW: 361.44

LogP: 5.98

LogS: -5.36

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: (6E)-7-[(4-methylphenyl)amino]-6-(2-quinolyl)-7-azahept-6-enoic acid

Rotation Bonds: 7

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n1c(/C(=N\Nc2ccc(cc2)C)CCCCC(=O)O)ccc2c1cccc2

ID: ST097800

Formula: C15H14N2O5S2

MW: 366.42

LogP: 2.43

LogS: -4.1

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: 3-methyl-2-{5-[(4-nitrophenyl)methylene]-2-oxo-4-thioxo(1,3-thiazolidin-3-yl)} butanoic acid

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: N1(C(SC(/C1=S)=C/c1ccc([N+]([O-])=O)cc1)=O)C(C(=O)O)C(C)C

ID: ST097801

Formula: C19H14N2O4S2

MW: 398.46

LogP: 1.87

LogS: -4.09

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 4-{[4-oxo-3-(2-phenylacetylamino)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}be nzoic acid

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: N1(C(/C(=C\c2ccc(C(=O)O)cc2)SC1=S)=O)NC(=O)Cc1ccccc1

ID: ST097802

Formula: C15H11N3O3S2

MW: 345.4

LogP: 2.43

LogS: -4.09

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 4-{[3-methyl-4-oxo-2-(1,3-thiazol-2-ylazamethylene)-1,3-thiazolidin-5-ylidene] methyl}benzoic acid

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C1(/N(C(=O)C(/S1)=C/c1ccc(C(=O)O)cc1)C)=N/c1nccs1

ID: ST097803

Formula: C18H20N2O4S2

MW: 392.5

LogP: 2.48

LogS: -4.27

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 4-methyl-2-({4-[(3-methyl-4-oxo-2-thioxo(1,3-thiazolidin-5-ylidene))methyl]phe nyl}carbonylamino)pentanoic acid

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: N1(C(SC(/C1=O)=C/c1ccc(C(NC(C(=O)O)CC(C)C)=O)cc1)=S)C

ID: ST097804

Formula: C18H20N2O3

MW: 312.37

LogP: 5.75

LogS: -4.86

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: 3,6,6-trimethyl-4-[(phenylamino)azamethylene]-5,6,7-trihydrobenzo[1,2-b]furan- 2-carboxylic acid

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1/2c(c(C(=O)O)oc1CC(CC2=N/Nc1ccccc1)(C)C)C

ID: ST097806

Formula: C16H12N2O4S

MW: 328.35

LogP: 4.37

LogS: -4.62

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: 3-benzothiazol-2-yl-3-(4-nitrophenyl)propanoic acid

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: c1(nc2ccccc2s1)C(CC(=O)O)c1ccc([N+]([O-])=O)cc1

ID: ST097807

Formula: C19H20N4O2S

MW: 368.46

LogP: 4.76

LogS: -4.89

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: 2-{(1E)-1-[(cyclohexylideneazamethyl)amino]-2-phenyl-2-azavinylthio}pyridine-4 -carboxylic acid

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/Sc1nccc(C(=O)O)c1)(=N\c1ccccc1)N\N=C1/CCCCC1

ID: ST097808

Formula: C10H11NO4S2

MW: 273.33

LogP: 0.16

LogS: -3.12

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: 3-[(phenylamino)sulfonyl]-2,5-dihydrothiophene-1,1-dione

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(C=1CS(=O)(=O)CC1)(Nc1ccccc1)(=O)=O

ID: ST097809

Formula: C17H22N2O5

MW: 334.37

LogP: 3.1

LogS: -4.2

Acceptors: 5

Donors: 2

Oil: SOLID

IUPACNAME: 3-(N-{2-[(tert-butyl)oxycarbonyl]isoindolin-5-yl}carbamoyl)propanoic acid

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: N1(C(OC(C)(C)C)=O)Cc2cc(NC(=O)CCC(=O)O)ccc2C1

ID: ST097810

Formula: C14H13NO4

MW: 259.26

LogP: 2.56

LogS: -3.75

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-3-(6-methoxy-1-methyl-2-oxo(3-hydroquinolyl))prop-2-enoic acid

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n1(c(c(/C=C\C(=O)O)cc2c1ccc(OC)c2)=O)C

ID: ST097811

Formula: C18H15N3O4S

MW: 369.4

LogP: 4.66

LogS: -4.75

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: (2Z)-3-(N-{[3-(2-furylmethyl)-4-phenyl(1,3-thiazolin-2-ylidene)]azamethyl}carb amoyl)prop-2-enoic acid

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: n1(\c(scc1c1ccccc1)=N\NC(/C=C/C(=O)O)=O)Cc1occc1

ID: ST097812

Formula: C17H11ClN2O3S

MW: 358.8

LogP: 4.54

LogS: -4.67

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: 4-({5-[(4-chlorophenyl)methylene]-2-oxo-1,3-thiazolidin-4-ylidene}azamethyl)be nzoic acid

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: N1C(/C(=C\c2ccc(cc2)Cl)SC1=O)=N\c1ccc(C(=O)O)cc1

ID: ST097813

Formula: C12H11NO5S

MW: 281.29

LogP: 0

LogS: -3.04

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: 2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: N1(C(SC(C1=O)CC(=O)O)=O)c1ccc(cc1)OC

ID: ST097814

Formula: C21H27ClN2O7

MW: 454.91

LogP: 5.51

LogS: -4.83

Acceptors: 7

Donors: 2

Oil: SOLID

IUPACNAME:

Rotation Bonds: 7

Lipinski: 4

N+O: 9

Chiral Centers: 1

Smiles: [n+]1(c(cc(cc1C)c1ccccc1)C)CCCCC(C(=O)O)NC(=O)C.Cl([O-])(=O)(=O)=O

ID: ST097815

Formula: C15H9NO4

MW: 267.24

LogP: 0.8

LogS: -2.7

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: 1-(3-hydroxy-1-oxoinden-2-yl)pyridine-3-carboxylic acid

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C1([n+]2cc(C(=O)O)ccc2)=C(c2ccccc2C1=O)[O-]

ID: ST097816

Formula: C12H15KO6S

MW: 326.41

LogP:

LogS:

Acceptors: 6

Donors: 1

Oil: SOLID

IUPACNAME: 4-(2-hydroxy-3-prop-2-enyloxypropoxy)benzenesulfonic acid, potassium salt

Rotation Bonds: 7

Lipinski:

N+O: 6

Chiral Centers: 1

Smiles: S(c1ccc(OCC(O)COCC=C)cc1)([O-])(=O)=O.[K+]

ID: ST097817

Formula: C9H10N6

MW: 202.22

LogP: 1.55

LogS: -3.09

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: ((1E)-3-phenyl-1-azaprop-1-enyl)-1H-1,2,3,4-tetraazol-5-ylamine

Rotation Bonds: 2

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(nnn[nH]1)N\N=C\Cc1ccccc1

ID: ST097818

Formula: C3H2Cl3N5

MW: 214.44

LogP: 0.56

LogS: -2.69

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: 5-((1E)-3,3,3-trichloro-1-azaprop-1-enyl)-1H-1,2,3,4-tetraazole

Rotation Bonds: 0

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(nnn[nH]1)/N=C\C(Cl)(Cl)Cl

ID: ST097819

Formula: C20H20NO3P

MW: 353.36

LogP: 4.24

LogS: -4.06

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: ((1E)-2-phenylvinyl)phenoxyphosphinic acid, phenylamine

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: P(/C=C\c1ccccc1)([O-])(Oc1ccccc1)=O.[NH3+]c1ccccc1

ID: ST097820

Formula: C11H15N5Si

MW: 245.36

LogP:

LogS:

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: 2-[5-((1E)-2-(2-pyridyl)-2-azavinyl)(1H-1,2,3-triazol-4-yl)]-2-methyl-2-silapr opane

Rotation Bonds: 1

Lipinski:

N+O: 5

Chiral Centers: 0

Smiles: c1(c([nH]nn1)/C=N\c1ncccc1)[Si](C)(C)C

ID: ST097821

Formula: C19H13BrN2O4

MW: 413.23

LogP: 1.89

LogS: -4.07

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-3-{3-[(1-acetyl-5-bromo-2-oxobenzo[d]azolin-3-ylidene)azamethyl]phenyl}pr op-2-enoic acid

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: N1(C(/C(=N/c2cc(/C=C\C(=O)O)ccc2)c2c1ccc(Br)c2)=O)C(=O)C

ID: ST097822

Formula: C16H18N4O3S

MW: 346.41

LogP: 1.95

LogS: -3.84

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: (2E)-3-[4-({[N-(5-propyl(1,3,4-thiadiazol-2-yl))carbamoyl]methyl}amino)phenyl] prop-2-enoic acid

Rotation Bonds: 6

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1(sc(CCC)nn1)NC(=O)CNc1ccc(/C=C\C(=O)O)cc1

ID: ST097823

Formula: C14H18N4

MW: 242.32

LogP: 3.67

LogS: -4.14

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: 5-((1E)-3-phenyl-2-azaprop-1-enyl)-4-(tert-butyl)-1H-1,2,3-triazole

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c([nH]nn1)/C=N\Cc1ccccc1)C(C)(C)C

ID: ST097824

Formula: C15H12ClN3O2S

MW: 333.8

LogP: 2.81

LogS: -4.25

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 3-[(1E)-2-(5-chloro(1,3-thiazol-2-yl))-2-azavinyl]-1-ethyl-4-hydroxyhydroquino lin-2-one

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c(n(CC)c2c(c1O)cccc2)=O)/C=N\c1sc(Cl)cn1

ID: ST097825

Formula: C11H13NO4S

MW: 255.29

LogP: 2.28

LogS: -3.18

Acceptors: 4

Donors: 0

Oil: SOLID

IUPACNAME: 3-(2-ethyl-4,5-dihydroisoxazol-5-yl)benzenesulfonic acid

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: c1(cc(ccc1)S(=O)(=O)[O-])C1O[N+](=CC1)CC

ID: ST097826

Formula: C18H16N2O5

MW: 340.34

LogP: 2.73

LogS: -3.95

Acceptors: 5

Donors: 3

Oil: SOLID

IUPACNAME: 2,3-dimethoxy-6-[(3-oxo(1,4-dihydroquinoxalin-2-ylidene))methyl]benzoic acid

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1ccc2[nH]\c(=C/c3ccc(c(c3C(O)=O)OC)OC)c([nH]c2c1)=O

ID: ST097827

Formula: C13H11NO6S

MW: 309.3

LogP: -0.73

LogS: -2.77

Acceptors: 6

Donors: 2

Oil: SOLID

IUPACNAME: 2-[(1,3-dioxobenzo[c]azolin-2-yl)methylthio]butanedioic acid

Rotation Bonds: 7

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: C(C(O)=O)C(C(=O)O)SCN1C(c2c(C1=O)cccc2)=O

ID: ST097828

Formula: C10H12Cl2N2O4S

MW: 327.19

LogP: 2.24

LogS: -3.75

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 3-({[(3,4-dichlorophenyl)amino]sulfonyl}methylamino)propanoic acid

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: N(c1ccc(c(c1)Cl)Cl)S(=O)(=O)N(C)CCC(O)=O

ID: ST097829

Formula: C14H16N2O4S2

MW: 340.42

LogP: 1.18

LogS: -3.83

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: (methylsulfonyl){4-[(methylsulfonyl)amino]phenyl}phenylamine

Rotation Bonds: 0

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1cc(N(c2ccccc2)S(=O)(=O)C)ccc1NS(=O)(=O)C

ID: ST097830

Formula: C13H13N3O2S

MW: 275.33

LogP: 0.79

LogS: -3.32

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: 3-{[(3-methylquinoxalin-2-yl)thioxomethyl]amino}propanoic acid

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1cc2nc(c(C(NCCC(O)=O)=S)nc2cc1)C

ID: ST097831

Formula: C17H16IN3OS

MW: 437.3

LogP: 4.31

LogS: -4.83

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 2-imino-5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylene}-1,3-t hiazolidin-4-one

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1(c(cc(c1C)/C=C1/C(NC(S1)=N)=O)C)c1cc(C)c(cc1)I

ID: ST097832

Formula: C15H19N3OS

MW: 289.4

LogP: 2.24

LogS: -3.75

Acceptors: 1

Donors: 3

Oil: SOLID

IUPACNAME: 5,5-dimethyl-3-{2-[(phenylamino)thioxomethyl]hydrazino}cyclohex-2-en-1-one

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(NNC1=CC(=O)CC(C1)(C)C)(Nc1ccccc1)=S

ID: ST097833

Formula: C10H12ClN3S

MW: 241.74

LogP: 2.49

LogS: -3.6

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: {[(1E)-2-(2-chloro-5-methylphenyl)-1-azavinyl]amino}(methylamino)methane-1-thi one

Rotation Bonds: 2

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: C(=S)(N\N=C\c1c(ccc(c1)C)Cl)NC

ID: ST097834

Formula: C12H14Br3NO3

MW: 459.96

LogP: 2.86

LogS: -3.39

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: 1-(3,5-dibromo-2-hydroxyphenyl)-2-morpholin-4-ylethan-1-one, bromide

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c(c(Br)cc(c1)Br)O)C(C[NH+]1CCOCC1)=O.[Br-]

ID: ST097835

Formula: C16H23N3O2

MW: 289.38

LogP: 2.79

LogS: -4.12

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 1-(hydroxyimino)-2-[4-(2-methoxyphenyl)piperazinyl]cyclopentane

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1C(\C(CC1)=N/O)N1CCN(CC1)c1ccccc1OC

ID: ST097836

Formula: C15H13N3S

MW: 267.35

LogP: 3.28

LogS: -4.1

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: 3-({[benzylamino]thioxomethyl}amino)benzenecarbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: c1(cc(ccc1)NC(NCc1ccccc1)=S)C#N

ID: ST097837

Formula: C19H14N2O4S

MW: 366.4

LogP: 3.62

LogS: -4.62

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: ethyl 2-((1E)-2-(2-furyl)vinyl)-5-cyano-4-(2-furyl)-6-thioxohydropyridine-3-ca rboxylate

Rotation Bonds: 6

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(c(c(/C=C\c2occc2)[nH]c(c1C#N)=S)C(=O)OCC)c1occc1

ID: ST097838

Formula: C13H10N4O

MW: 238.25

LogP: 1.12

LogS: -3.22

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 6-((1E)-2-phenylvinyl)-5-hydropyrazolo[5,4-d]pyrimidin-4-one

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c12c(c(=O)[nH]c(n1)/C=C\c1ccccc1)cn[nH]2

ID: ST097839

Formula: C21H15BrN2O2

MW: 407.27

LogP: 5.81

LogS: -5.44

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: (1E)-2-(5-bromo(3-pyridyl))-2-phenyl-1-azavinyl (2E)-3-phenylprop-2-enoate

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(cc(C(/c2ccccc2)=N/OC(/C=C\c2ccccc2)=O)cnc1)Br

ID: ST097840

Formula: C15H10BrN3O2

MW: 344.17

LogP: 2.24

LogS: -3.98

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: (2Z)-2-benzoxazol-2-yl-3-[(5-bromo(2-pyridyl))amino]prop-2-enal

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(nc2ccccc2o1)/C(=C\Nc1ncc(cc1)Br)C=O

ID: ST097841

Formula: C13H16BrN3Si

MW: 322.28

LogP:

LogS:

Acceptors: 0

Donors: 1

Oil: SOLID

IUPACNAME: 2-{5-[(1Z)-2-(4-bromophenyl)-2-azavinyl]pyrazol-4-yl}-2-methyl-2-silapropane

Rotation Bonds: 1

Lipinski:

N+O: 3

Chiral Centers: 0

Smiles: c1(c(cn[nH]1)[Si](C)(C)C)/C=N/c1ccc(cc1)Br

ID: ST097842

Formula: C11H8ClNO2

MW: 221.64

LogP: 3.74

LogS: -3.92

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: (2-chloro-5-phenyl(3-furyl))(hydroxyimino)methane

Rotation Bonds: 2

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: c1(c(oc(c1)c1ccccc1)Cl)/C=N\O

ID: ST097843

Formula: C17H13ClN2O2

MW: 312.76

LogP: 3.94

LogS: -4.55

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: (2E)-2-(5-chlorobenzoxazol-2-yl)-3-[benzylamino]prop-2-enal

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(nc2cc(Cl)ccc2o1)/C(=C/NCc1ccccc1)C=O

ID: ST097844

Formula: C15H14ClN3O3

MW: 319.75

LogP: 2.4

LogS: -4.02

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 5-(6-chloroimidazo[5,4-b]pyridin-2-yl)-1,2,3-trimethoxybenzene

Rotation Bonds: 2

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1([nH]c2ncc(cc2n1)Cl)c1cc(OC)c(c(c1)OC)OC

ID: ST097845

Formula: C14H10Cl2N2S

MW: 309.22

LogP: 5.41

LogS: -4.42

Acceptors: 0

Donors: 0

Oil: SOLID

IUPACNAME: 5-chloro-2,3-diphenyl-1,2,4-thiadiazole, chloride

Rotation Bonds: 0

Lipinski: 4

N+O: 2

Chiral Centers: 0

Smiles: [n+]1(c(nc(s1)Cl)c1ccccc1)c1ccccc1.[Cl-]

ID: ST097846

Formula: C12H11N3O

MW: 213.24

LogP: 1.19

LogS: -3.23

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: 4-((1E)-2-phenyl-1-azavinyl)-6-methyl-2-hydropyridazin-3-one

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c(cc(n[nH]1)C)/N=C\c1ccccc1)=O

ID: ST097847

Formula: C17H15BrN4O2

MW: 387.24

LogP: 3.56

LogS: -4.47

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 5-((1E)-2-(1H-1,2,4-triazol-5-yl)-2-azavinyl)-1-bromo-3-methoxy-2-(phenylmetho xy)benzene

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: n1c([nH]nc1)/N=C\c1cc(Br)c(c(c1)OC)OCc1ccccc1

ID: ST097848

Formula: C20H25Cl2NO2

MW: 382.33

LogP: 7.12

LogS: -5.13

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3,3-dimethyl-1,2,3,4-tetrahydroisoqui noline, chloride

Rotation Bonds: 4

Lipinski: 3

N+O: 3

Chiral Centers: 0

Smiles: c1(cc2c(cc1OC)C[NH+](C(C2)(C)C)Cc1ccccc1Cl)OC.[Cl-]

ID: ST097849

Formula: C11H11ClFN5

MW: 267.69

LogP: 2.79

LogS: -3.94

Acceptors: 0

Donors: 0

Oil: SOLID

IUPACNAME: 5-[(1E)-2-(6-chloro-2-fluorophenyl)-1-azavinyl]-1-propyl-1,2,3,4-tetraazole

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(n(nnn1)CCC)/N=C\c1c(F)cccc1Cl

ID: ST097850

Formula: C16H14Cl2N2O4

MW: 369.2

LogP: 6.27

LogS: -4.85

Acceptors: 4

Donors: 0

Oil: SOLID

IUPACNAME:

Rotation Bonds: 0

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: c1cc2[n+](cc1Cl)ccc(n2)c1ccc(cc1)CC.O=Cl([O-])(=O)=O

ID: ST097851

Formula: C14H20ClN3O4S

MW: 361.85

LogP: 6.14

LogS: -4.78

Acceptors: 4

Donors: 0

Oil: SOLID

IUPACNAME:

Rotation Bonds: 3

Lipinski: 3

N+O: 7

Chiral Centers: 1

Smiles: s1c2[n+](nc1CCCC)c1c(cn2)CC(CC1)C.O=Cl([O-])(=O)=O

ID: ST097852

Formula: C14H17IN4

MW: 368.22

LogP: 5.36

LogS: -4.48

Acceptors: 0

Donors: 0

Oil: SOLID

IUPACNAME: 2,4-dimethyl-7H,8H,9H,10H,11H-azaperhydroepino[2',1'-3,4]1,2,4-triazolo[1,5-a] pyridinecarbonitrile, iodide

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C1Cc2n(CCC1)c1[n+](n2)c(cc(c1C#N)C)C.[I-]

ID: ST097853

Formula: C17H21Br2NO2

MW: 431.17

LogP: 5

LogS: -5.05

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 6,8-dibromo-3-methyl-3-[(2-methylpiperidyl)methyl]chroman-4-one

Rotation Bonds: 2

Lipinski: 4

N+O: 3

Chiral Centers: 2

Smiles: c1(cc2c(c(Br)c1)OCC(C)(CN1CCCCC1C)C2=O)Br

ID: ST097854

Formula: C14H17ClN4O

MW: 292.77

LogP: 3.39

LogS: -4.26

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: N-(4-chlorophenyl)-5,6,7,8-tetrahydro-2H,3H,4H-pyrimidino[1,2-a]1,3-diazaperhy droinylcarboxamide

Rotation Bonds: 0

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C1CN=C2N(C1)CCCN2C(=O)Nc1ccc(cc1)Cl

ID: ST097855

Formula: C15H14ClNO2S

MW: 307.8

LogP: 3

LogS: -4.27

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 4-chlorophenyl 5-morpholin-4-yl(2-thienyl) ketone

Rotation Bonds: 1

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: c1c(C(c2ccc(cc2)Cl)=O)sc(N2CCOCC2)c1

ID: ST097856

Formula: C16H13Cl2NO5S

MW: 402.25

LogP: 7.15

LogS: -5.18

Acceptors: 5

Donors: 0

Oil: SOLID

IUPACNAME:

Rotation Bonds: 0

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: s1c(cc[n+]1c1ccc(OC)cc1)c1ccc(cc1)Cl.O=Cl([O-])(=O)=O

ID: ST097857

Formula: C11H17N3O2S

MW: 255.34

LogP: 0.07

LogS: -3.19

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 2,4-dimorpholin-4-yl-1,3-thiazole

Rotation Bonds: 0

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: s1c(N2CCOCC2)nc(c1)N1CCOCC1

ID: ST097858

Formula: C14H13BrN2O2S

MW: 353.24

LogP: 2.12

LogS: -4.02

Acceptors: 2

Donors: 0

Oil: SOLID

IUPACNAME: 4-bromophenyl 2-morpholin-4-yl(1,3-thiazol-5-yl) ketone

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: s1c(C(c2ccc(cc2)Br)=O)cnc1N1CCOCC1

ID: ST097859

Formula: C14H13N3OS

MW: 271.34

LogP: 1.87

LogS: -3.81

Acceptors: 1

Donors: 0

Oil: SOLID

IUPACNAME: 4-(2-morpholin-4-yl-1,3-thiazol-5-yl)benzenecarbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n1cc(c2ccc(cc2)C#N)sc1N1CCOCC1

ID: ST097868

Formula: C14H18N4O2S

MW: 306.39

LogP: 0.99

LogS: -3.49

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: 4-({[(2-hydroxyethyl)amino]thioxomethyl}amino)-2,3-dimethyl-1-phenyl-3-pyrazol in-5-one

Rotation Bonds: 3

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(c(n(c2ccccc2)n(c1C)C)=O)NC(=S)NCCO

ID: ST097869

Formula: C11H16N2O3S

MW: 256.33

LogP: 0.78

LogS: -3.12

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: 2-({[(2,5-dimethoxyphenyl)amino]thioxomethyl}amino)ethan-1-ol

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(Nc1cc(OC)ccc1OC)(=S)NCCO

ID: ST097870

Formula: C10H12F2N2O2S

MW: 262.28

LogP: 1.05

LogS: -3.1

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: 2-[({[4-(difluoromethoxy)phenyl]amino}thioxomethyl)amino]ethan-1-ol

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(Nc1ccc(OC(F)F)cc1)(=S)NCCO

ID: ST097871

Formula: C15H12N2O2S

MW: 284.34

LogP: 3.92

LogS: -4.38

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 5-(2-furylmethylene)-4-[(4-methylphenyl)azamethylene]-1,3-thiazolidin-2-one

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: N1C(/C(=C\c2occc2)SC1=O)=N/c1ccc(cc1)C

ID: ST097872

Formula: C18H10ClF3N2OS

MW: 394.8

LogP: 5.48

LogS: -5.19

Acceptors: 1

Donors: 0

Oil: SOLID

IUPACNAME: (2E)-3-{5-[2-chloro-5-(trifluoromethyl)phenyl](2-furyl)}-2-(4-methyl(1,3-thiaz ol-2-yl))prop-2-enenitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: c1(/C(=C\c2oc(c3cc(C(F)(F)F)ccc3Cl)cc2)C#N)nc(C)cs1

ID: ST097873

Formula: C18H11ClFNO3S2

MW: 407.87

LogP: 3.63

LogS: -4.64

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-{5-[(6-chloro-2-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl) }-2-phenylacetic acid

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: N1(C(SC(/C1=O)=C\c1c(F)cccc1Cl)=S)C(C(=O)O)c1ccccc1

ID: ST097874

Formula: C10H9FN2OS

MW: 224.26

LogP: 1.79

LogS: -3.38

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: 2-[(4-fluorophenyl)azamethylene]-5-methyl-1,3-thiazolidin-4-one

Rotation Bonds: 0

Lipinski: 4

N+O: 3

Chiral Centers: 1

Smiles: C1(/NC(=O)C(S1)C)=N\c1ccc(cc1)F

ID: ST097875

Formula: C14H10ClF3N2O3S

MW: 378.76

LogP: 2.37

LogS: -4.13

Acceptors: 3

Donors: 0

Oil: SOLID

IUPACNAME: 3-acetyl-2-{[4-chloro-3-(trifluoromethyl)phenyl]azamethylene}-1,3-thiazolin-4- yl acetate

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n1(\c(scc1OC(=O)C)=N\c1cc(C(F)(F)F)c(cc1)Cl)C(=O)C

ID: ST097876

Formula: C15H15BrN2O3S

MW: 383.27

LogP: 3.04

LogS: -4.42

Acceptors: 3

Donors: 0

Oil: SOLID

IUPACNAME: 3-acetyl-2-[(4-bromophenyl)azamethylene]-5-ethyl-1,3-thiazolin-4-yl acetate

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: n\1(c(c(CC)sc1=N\c1ccc(cc1)Br)OC(=O)C)C(=O)C

ID: ST097877

Formula: C13H14ClN3OS2

MW: 327.86

LogP: 3.87

LogS: -4.47

Acceptors: 1

Donors: 1

Oil: SOLID

IUPACNAME: 3-(2-chloro-3-phenylthiopropylthio)-6-methyl-4H-1,2,4-triazin-5-one

Rotation Bonds: 5

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: [nH]1c(c(C)nnc1SCC(CSc1ccccc1)Cl)=O

ID: ST097878

Formula: C16H9ClFN3O2S2

MW: 393.85

LogP: 1.28

LogS: -3.93

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-{5-[(2-chloro-6-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl) }-4-pyridylcarboxamide

Rotation Bonds: 2

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: N1(C(/C(=C\c2c(Cl)cccc2F)SC1=S)=O)NC(=O)c1ccncc1

ID: ST097879

Formula: C20H20ClNO4

MW: 373.84

LogP: 3.33

LogS: -4.61

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: 5-chloro-3-hydroxy-3-(2-oxopropyl)-1-(3-phenoxypropyl)indolin-2-one

Rotation Bonds: 7

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1(C(c2c(ccc(c2)Cl)N1CCCOc1ccccc1)(CC(=O)C)O)=O

ID: ST097880

Formula: C14H18N4O3

MW: 290.32

LogP: -0.53

LogS: -3.07

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-(2-methoxyethyl)-4-methyl-6-(3-pyridyl)-2,4,5,6,3a,6a-hexahydro-2,4,5-triaza pentalene-1,3-dione

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 3

Smiles: C1(C2C(C(=O)N1CCOC)C(c1cnccc1)NN2C)=O

ID: ST097881

Formula: C11H16N2O3S

MW: 256.33

LogP: 0.89

LogS: -3.16

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: 2-({[(3,5-dimethoxyphenyl)amino]thioxomethyl}amino)ethan-1-ol

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(Nc1cc(OC)cc(c1)OC)(=S)NCCO

ID: ST097882

Formula: C14H13N3O4

MW: 287.28

LogP: 1.15

LogS: -3.48

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: methyl 4-(3-methyl-4,6-dioxo-3,5,3a,6a-tetrahydro-2,3,5-triazapentalenyl)benzo ate

Rotation Bonds: 1

Lipinski: 4

N+O: 7

Chiral Centers: 2

Smiles: N1=C(C2C(N1C)C(=O)NC2=O)c1ccc(C(=O)OC)cc1

ID: ST097883

Formula: C19H17NO4S

MW: 355.41

LogP: 2.66

LogS: -4.27

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: 2-[2,5-dioxo-1-(phenylethyl)azolidin-3-ylthio]benzoic acid

Rotation Bonds: 5

Lipinski: 4

N+O: 5

Chiral Centers: 2

Smiles: N1(C(CC(C1=O)Sc1c(C(=O)O)cccc1)=O)C(c1ccccc1)C

ID: ST097884

Formula: C16H9ClN2OS

MW: 312.78

LogP: 4.33

LogS: -4.65

Acceptors: 1

Donors: 0

Oil: SOLID

IUPACNAME: (2E)-3-(4-chlorophenyl)-2-(4-(2-furyl)(1,3-thiazol-2-yl))prop-2-enenitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: n1c(/C(=C\c2ccc(cc2)Cl)C#N)scc1c1occc1

ID: ST097885

Formula: C15H14N2O3S

MW: 302.35

LogP: 2.26

LogS: -3.96

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 2-(3-pyridylcarbonylamino)ethyl (2E)-3-(2-thienyl)prop-2-enoate

Rotation Bonds: 7

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1cnccc1)(=O)NCCOC(/C=C\c1sccc1)=O

ID: ST097886

Formula: C21H27NO5S

MW: 405.52

LogP: 6.41

LogS: -5.58

Acceptors: 5

Donors: 2

Oil: SOLID

IUPACNAME: 4-({[5-(tert-butyl)-2-butoxyphenyl]sulfonyl}amino)benzoic acid

Rotation Bonds: 6

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: S(c1cc(C(C)(C)C)ccc1OCCCC)(Nc1ccc(C(=O)O)cc1)(=O)=O

ID: ST097887

Formula: C14H14N2O4S

MW: 306.34

LogP: 1.03

LogS: -3.53

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: methyl 3-(4,7-dioxospiro[1,3-thiazolidine-2,3'-indoline]-3-yl)propanoate

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: N1(C2(C(Nc3c2cccc3)=O)SCC1=O)CCC(=O)OC

ID: ST097888

Formula: C13H10N4O3S2

MW: 334.38

LogP: -1.79

LogS: -2.82

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: 5-[2-oxo-2-(4-phenyl-5-thioxo(1,2,4-triazolinyl))ethyl]-1,3-thiazolidine-2,4-d ione

Rotation Bonds: 2

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: n1(c(n(c2ccccc2)cn1)=S)C(CC1C(NC(S1)=O)=O)=O

ID: ST097889

Formula: C14H11BrN2O3S

MW: 367.22

LogP: 3.85

LogS: -4.43

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: (7-bromo-3-methyl-1-oxoisochroman-3-yl)-N-(1,3-thiazol-2-yl)carboxamide

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: C1(OC(C(Nc2nccs2)=O)(C)Cc2c1cc(cc2)Br)=O

ID: ST097890

Formula: C14H19ClN2O3S

MW: 330.84

LogP: 2.02

LogS: -4.07

Acceptors: 3

Donors: 0

Oil: SOLID

IUPACNAME: 1-acetyl-4-[(4-chloro-2,5-dimethylphenyl)sulfonyl]piperazine

Rotation Bonds: 1

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: S(c1cc(C)c(cc1C)Cl)(N1CCN(CC1)C(=O)C)(=O)=O

ID: ST097935

Formula: C16H13NO3S

MW: 299.35

LogP: 4.09

LogS: -4.43

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: (4-hydroxynaphthyl)(phenylsulfonyl)amine

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: S(Nc1c2c(cccc2)c(cc1)O)(=O)(=O)c1ccccc1

ID: ST097936

Formula: C4H6Cl2O

MW: 141

LogP: 1.59

LogS: -2.85

Acceptors: 1

Donors: 1

Oil: OIL

IUPACNAME: (2,2-dichlorocyclopropyl)methan-1-ol

Rotation Bonds: 2

Lipinski: 4

N+O: 1

Chiral Centers: 1

Smiles: C1(C(CO)C1)(Cl)Cl

ID: ST097937

Formula: C14H15ClN4O3S

MW: 354.82

LogP: -0.75

LogS: -3.02

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-[5-(carbamoylmethyl)-3-ethyl-4-oxo-2-thioxo(1,3-diazolidinyl)](4-chloropheny l)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: N1(C(N(CC)C(C1CC(=O)[NH])=O)=S)NC(c1ccc(cc1)Cl)=O

ID: ST097938

Formula: C9H11FN2OS

MW: 214.26

LogP: 1.16

LogS: -3.02

Acceptors: 1

Donors: 3

Oil: SOLID

IUPACNAME: 2-({[(4-fluorophenyl)amino]thioxomethyl}amino)ethan-1-ol

Rotation Bonds: 3

Lipinski: 4

N+O: 3

Chiral Centers: 0

Smiles: C(Nc1ccc(F)cc1)(=S)NCCO

ID: ST097939

Formula: C14H14N4O3

MW: 286.29

LogP: 0.4

LogS: -3.25

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-(2,9-dioxo(1,6,7,8,9a-pentahydro-3,8-diazaquinolizin-4-yl))benzamide

Rotation Bonds: 0

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: C1(=NC(=O)CC2N1CCNC2=O)NC(=O)c1ccccc1

ID: ST097940

Formula: C14H12N2O4

MW: 272.26

LogP: 1.01

LogS: -3.34

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: 4-oxo-3-(3-pyridyl)-10-oxa-3-azatricyclo[5.2.1.0<1,5>]dec-8-ene-6-carboxylic a cid

Rotation Bonds: 2

Lipinski: 4

N+O: 6

Chiral Centers: 4

Smiles: c1(cccnc1)N1CC23C(C(C(O)=O)C(C=C2)O3)C1=O

ID: ST097941

Formula: C14H13FN4O3

MW: 304.28

LogP: 0.27

LogS: -3.23

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-(2,9-dioxo(1,6,7,8,9a-pentahydro-3,8-diazaquinolizin-4-yl))(4-fluorophenyl)c arboxamide

Rotation Bonds: 0

Lipinski: 4

N+O: 7

Chiral Centers: 1

Smiles: C=1(N2C(C(=O)NCC2)CC(N1)=O)NC(c1ccc(cc1)F)=O

ID: ST097942

Formula: C12H8N2O2

MW: 212.21

LogP: 3.22

LogS: -3.82

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: 5-hydropyridino[1,2-a]benzimidazole-2-carboxylic acid

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: n12c(nc3c1ccc(C(=O)O)c3)cccc2

ID: ST097943

Formula: C25H24N4O4S

MW: 476.56

LogP: 4.68

LogS: -5.31

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: 4-{5-[(pyrimidin-2-ylamino)sulfonyl]-9-azatetracyclo[10.2.1.0<2,11>.0<3,8>]pen tadeca-3,5,7-trien-10-yl}benzoic acid

Rotation Bonds: 2

Lipinski: 4

N+O: 8

Chiral Centers: 5

Smiles: c1c(cc2c(c1)NC(C1C2C2CCC1C2)c1ccc(cc1)C(O)=O)S(=O)(Nc1ncccn1)=O

ID: ST097944

Formula: C15H14N4OS

MW: 298.37

LogP: 1.05

LogS: -3.58

Acceptors: 1

Donors: 3

Oil: SOLID

IUPACNAME: 2-{[(pyridino[2,3-h]quinolin-6-ylamino)thioxomethyl]amino}ethan-1-ol

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(c2c(cccn2)c2c(c1)cccn2)NC(=S)NCCO

ID: ST097945

Formula: C12H13NO

MW: 187.24

LogP: 3.15

LogS: -3.77

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 1,2,3,4,9-pentahydro-4aH-carbazol-1-ol

Rotation Bonds: 1

Lipinski: 4

N+O: 2

Chiral Centers: 1

Smiles: c12ccccc1c1c([nH]2)C(CCC1)O

ID: ST097946

Formula: C13H13NO2

MW: 215.25

LogP: 3.55

LogS: -3.91

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: 1,2,3,4,9-pentahydro-4aH-carbazolecarboxylic acid

Rotation Bonds: 2

Lipinski: 4

N+O: 3

Chiral Centers: 1

Smiles: c1cccc2c1[nH]c1c2CCCC1C(O)=O

ID: ST097947

Formula: C13H12BrN5

MW: 318.18

LogP: 4.26

LogS: -4.35

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: 5-(6-bromo-1,2,3,4,9-pentahydro-4aH-carbazolyl)-1H-1,2,3,4-tetraazole

Rotation Bonds: 0

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: c12[nH]c3ccc(cc3c1CCCC2c1nnn[nH]1)Br

ID: ST097949

Formula: C13H12ClN5

MW: 273.72

LogP: 4.13

LogS: -4.28

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: 5-(6-chloro-1,2,3,4,9-pentahydro-4aH-carbazolyl)-1H-1,2,3,4-tetraazole

Rotation Bonds: 0

Lipinski: 4

N+O: 5

Chiral Centers: 1

Smiles: c12[nH]c3ccc(cc3c1CCCC2c1nnn[nH]1)Cl

ID: ST097950

Formula: C20H19ClN4O2S

MW: 414.92

LogP: 4.53

LogS: -5.02

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-1-azavinyl]-2-[(4-chloroph enyl)methylthio]acetamide

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: n1(c(c(/C=N\NC(=O)CSCc2ccc(cc2)Cl)c(n1)C)O)c1ccccc1

ID: ST097951

Formula: C16H12IN3O

MW: 389.2

LogP: 3.86

LogS: -4.42

Acceptors: 1

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(2-iodophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1c(I)cccc1)ccc(N)c2)N)C#N

ID: ST097952

Formula: C16H11Cl2N3O

MW: 332.19

LogP: 3.63

LogS: -4.3

Acceptors: 1

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(3,4-dichlorophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1cc(Cl)c(cc1)Cl)ccc(N)c2)N)C#N

ID: ST097953

Formula: C16H12IN3O

MW: 389.2

LogP: 3.83

LogS: -4.41

Acceptors: 1

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(3-iodophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1cc(I)ccc1)ccc(N)c2)N)C#N

ID: ST097954

Formula: C16H11Cl2N3O

MW: 332.19

LogP: 3.57

LogS: -4.29

Acceptors: 1

Donors: 4

Oil: SOLID

IUPACNAME: 2,7-diamino-4-(2,4-dichlorophenyl)-4H-chromene-3-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1c(cc(cc1)Cl)Cl)ccc(N)c2)N)C#N

ID: ST097955

Formula: C23H20N2O4

MW: 388.42

LogP: 4.29

LogS: -5

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: 3-amino-1-(3,4,5-trimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 6

Chiral Centers: 1

Smiles: C=1(C(c2c3c(cccc3)ccc2OC1N)c1cc(OC)c(c(c1)OC)OC)C#N

ID: ST097956

Formula: C17H15N5O2

MW: 321.34

LogP: 1.83

LogS: -3.82

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-1-azavinyl]-4-pyridylcarbo xamide

Rotation Bonds: 2

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: n1(c(c(/C=N\NC(=O)c2ccncc2)c(n1)C)O)c1ccccc1

ID: ST097957

Formula: C18H16N4O2

MW: 320.35

LogP: 2.74

LogS: -4.11

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-{[(3-methyl-5-oxo-1-phenyl(1,2-diazolin-4-ylidene))methyl]amino}benzamide

Rotation Bonds: 1

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: N1(N=C(C)C(/C1=O)=C/NNC(=O)c1ccccc1)c1ccccc1

ID: ST097958

Formula: C14H12ClN3O2

MW: 289.72

LogP: 1.89

LogS: -3.72

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-chloro-2-methoxyphenyl)-1-azavinyl]-3-pyridylcarboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1cnccc1)(N\N=C\c1c(ccc(c1)Cl)OC)=O

ID: ST097959

Formula: C28H22Cl2N2O3

MW: 505.4

LogP: 8.09

LogS: -6.62

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-((1E)-2-{2-[(4-chlorophenyl)methoxy]phenyl}-1-azavinyl){4-[(4-chlorophenyl)m ethoxy]phenyl}carboxamide

Rotation Bonds: 5

Lipinski: 2

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(OCc2ccc(cc2)Cl)cc1)(N\N=C\c1c(OCc2ccc(cc2)Cl)cccc1)=O

ID: ST097960

Formula: C16H15BrN2O2

MW: 347.21

LogP: 4.46

LogS: -4.6

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-bromo-2-ethoxyphenyl)-1-azavinyl]benzamide

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c(ccc(c1)Br)OCC)/C=N\NC(=O)c1ccccc1

ID: ST097961

Formula: C16H14N4S

MW: 294.38

LogP: 2.65

LogS: -3.97

Acceptors: 0

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-[imino(phenylmethylthio)methyl]-3-(phenylamino)-3-azaprop-2-enenitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(/C(SCc1ccccc1)=N)(=N\Nc1ccccc1)C#N

ID: ST097962

Formula: C17H17N3O5

MW: 343.34

LogP: 3.34

LogS: -4.37

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-ethoxy-5-methoxyphenyl)-1-azavinyl](3-nitrophenyl)carboxamide

Rotation Bonds: 6

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1cc(C(N\N=C\c2c(ccc(c2)OC)OCC)=O)ccc1)([O-])=O

ID: ST097963

Formula: C20H14N2O

MW: 298.34

LogP: 4.52

LogS: -4.74

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 3-amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 0

Lipinski: 4

N+O: 3

Chiral Centers: 1

Smiles: C1(=C(Oc2c(C1c1ccccc1)c1c(cc2)cccc1)N)C#N

ID: ST097964

Formula: C16H15BrN2O4

MW: 379.21

LogP: 3.21

LogS: -4.2

Acceptors: 4

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1Z)-2-(2,5-dimethoxyphenyl)-1-azavinyl](5-bromo-2-hydroxyphenyl)carboxamid e

Rotation Bonds: 6

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: c1(C(N\N=C/c2c(ccc(c2)OC)OC)=O)c(ccc(c1)Br)O

ID: ST097965

Formula: C17H17N3O5

MW: 343.34

LogP: 3.08

LogS: -4.3

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1Z)-2-(2,4-dimethoxyphenyl)-1-azaprop-1-enyl](4-nitrophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1ccc(C(N\N=C(/c2c(cc(cc2)OC)OC)C)=O)cc1)([O-])=O

ID: ST097966

Formula: C22H27N3O3

MW: 381.47

LogP: 4.93

LogS: -5.11

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)heptanamide

Rotation Bonds: 8

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(NC(=O)CCCCCC)cc1)(N\N=C\c1c(OC)cccc1)=O

ID: ST097967

Formula: C22H27N3O4

MW: 397.47

LogP: 4.33

LogS: -4.86

Acceptors: 4

Donors: 3

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-hydroxy-5-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)heptan amide

Rotation Bonds: 8

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: c1(c(ccc(c1)OC)O)/C=N\NC(c1ccc(NC(=O)CCCCCC)cc1)=O

ID: ST097968

Formula: C21H14Br2ClN3O3

MW: 551.62

LogP: 5.35

LogS: -5.25

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)(2-c hlorophenyl)carboxamide

Rotation Bonds: 4

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: C(c1c(Cl)cccc1)(Nc1ccc(C(N\N=C\c2c(c(Br)cc(c2)Br)O)=O)cc1)=O

ID: ST097969

Formula: C20H14N2O2

MW: 314.34

LogP: 4.02

LogS: -4.48

Acceptors: 2

Donors: 3

Oil: SOLID

IUPACNAME: 2-amino-7-hydroxy-4-naphthyl-4H-chromene-3-carbonitrile

Rotation Bonds: 2

Lipinski: 4

N+O: 4

Chiral Centers: 1

Smiles: C=1(C(c2c3c(cccc3)ccc2)c2ccc(cc2OC1N)O)C#N

ID: ST097970

Formula: C13H14N6O3

MW: 302.29

LogP: 0.18

LogS: -3.13

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-(iminomorpholin-4-ylmethyl)-3-[(2-nitrophenyl)amino]-3-azaprop-2-enenit rile

Rotation Bonds: 2

Lipinski: 4

N+O: 9

Chiral Centers: 0

Smiles: [N+](c1c(N\N=C(\C(N2CCOCC2)=N)C#N)cccc1)([O-])=O

ID: ST097971

Formula: C17H16N4OS

MW: 324.41

LogP: 2.45

LogS: -4.03

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-2-[imino(phenylmethylthio)methyl]-3-[(4-methoxyphenyl)amino]-3-azaprop-2- enenitrile

Rotation Bonds: 3

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(/C(SCc1ccccc1)=N)(=N\Nc1ccc(cc1)OC)C#N

ID: ST097972

Formula: C18H25N5O

MW: 327.43

LogP: 3.64

LogS: -4.46

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: (2E)-3-[(3-butoxyphenyl)amino]-2-(iminopiperidylmethyl)-3-azaprop-2-enenitrile

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(/C(=N\Nc1cc(OCCCC)ccc1)C#N)(N1CCCCC1)=N

ID: ST097973

Formula: C20H13FN2O

MW: 316.33

LogP: 4.64

LogS: -4.79

Acceptors: 1

Donors: 2

Oil: SOLID

IUPACNAME: 3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile

Rotation Bonds: 1

Lipinski: 4

N+O: 3

Chiral Centers: 1

Smiles: C=1(C(c2c3c(cccc3)ccc2OC1N)c1cc(F)ccc1)C#N

ID: ST097974

Formula: C21H16BrN3O3

MW: 438.28

LogP: 4.48

LogS: -4.83

Acceptors: 3

Donors: 3

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)(2-bromophenyl)c arboxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: C(c1c(Br)cccc1)(Nc1ccc(C(N\N=C\c2c(O)cccc2)=O)cc1)=O

ID: ST097975

Formula: C22H28N2O2

MW: 352.48

LogP: 6.81

LogS: -5.69

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-octyloxyphenyl)-1-azavinyl]benzamide

Rotation Bonds: 10

Lipinski: 3

N+O: 4

Chiral Centers: 0

Smiles: C(N\N=C\c1c(OCCCCCCCC)cccc1)(=O)c1ccccc1

ID: ST097976

Formula: C13H9N5O6

MW: 331.24

LogP: 0.87

LogS: -3.36

Acceptors: 6

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-3,5-dinitrophenyl)-1-azavinyl]-3-pyridylcarboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 11

Chiral Centers: 0

Smiles: c1([N+]([O-])=O)cc([N+]([O-])=O)cc(c1O)/C=N\NC(c1cnccc1)=O

ID: ST097977

Formula: C14H11N5O6

MW: 345.27

LogP: 1.62

LogS: -3.66

Acceptors: 6

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-3,5-dinitrophenyl)-1-azavinyl](6-methyl(3-pyridyl))carbox amide

Rotation Bonds: 3

Lipinski: 4

N+O: 11

Chiral Centers: 0

Smiles: c1([N+]([O-])=O)cc([N+]([O-])=O)cc(c1O)/C=N\NC(c1cnc(cc1)C)=O

ID: ST097978

Formula: C19H17N3O3

MW: 335.36

LogP: 2.8

LogS: -4.32

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl]-2-quinolylcarboxamide

Rotation Bonds: 5

Lipinski: 4

N+O: 6

Chiral Centers: 0

Smiles: n1c(C(N\N=C\c2c(c(OC)ccc2)OC)=O)ccc2c1cccc2

ID: ST097979

Formula: C16H13N3O6

MW: 343.3

LogP: 2.12

LogS: -3.8

Acceptors: 6

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-5-nitrophenyl)-1-azavinyl]-2H,3H-benzo[3,4-e]1,4-dioxan-6 -ylcarboxamide

Rotation Bonds: 3

Lipinski: 4

N+O: 9

Chiral Centers: 0

Smiles: [N+](c1cc(/C=N\NC(c2cc3OCCOc3cc2)=O)c(cc1)O)([O-])=O

ID: ST097980

Formula: C27H29ClN2O3

MW: 464.99

LogP: 8.35

LogS: -6.6

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1Z)-2-(2-hexyloxyphenyl)-1-azavinyl]{4-[(4-chlorophenyl)methoxy]phenyl}car boxamide

Rotation Bonds: 9

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(OCc2ccc(cc2)Cl)cc1)(N\N=C/c1c(OCCCCCC)cccc1)=O

ID: ST097981

Formula: C28H23ClN2O3

MW: 470.95

LogP: 7.29

LogS: -6.31

Acceptors: 3

Donors: 1

Oil: SOLID

IUPACNAME: N-{(1Z)-2-[2,4-bis(phenylmethoxy)phenyl]-1-azavinyl}(4-chlorophenyl)carboxamid e

Rotation Bonds: 6

Lipinski: 3

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(cc1)Cl)(N\N=C/c1c(cc(cc1)OCc1ccccc1)OCc1ccccc1)=O

ID: ST097982

Formula: C20H23BrN2O2

MW: 403.32

LogP: 6.37

LogS: -5.5

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1Z)-2-(2-hexyloxyphenyl)-1-azavinyl](3-bromophenyl)carboxamide

Rotation Bonds: 9

Lipinski: 3

N+O: 4

Chiral Centers: 0

Smiles: C(c1cc(Br)ccc1)(N\N=C/c1c(OCCCCCC)cccc1)=O

ID: ST097983

Formula: C20H24N2O2

MW: 324.42

LogP: 5.78

LogS: -5.21

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-pentyloxyphenyl)-1-azavinyl](4-methylphenyl)carboxamide

Rotation Bonds: 7

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: C(c1ccc(cc1)C)(N\N=C\c1c(OCCCCC)cccc1)=O

ID: ST097984

Formula: C36H40N2O4

MW: 564.72

LogP: 10.23

LogS: -7.8

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-{(1Z)-2-[2,4-bis(phenylmethoxy)phenyl]-1-azavinyl}(4-octyloxyphenyl)carboxam ide

Rotation Bonds: 13

Lipinski: 2

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(cc1)OCCCCCCCC)(N\N=C/c1c(cc(cc1)OCc1ccccc1)OCc1ccccc1)=O

ID: ST097985

Formula: C25H16BrN3O5

MW: 518.32

LogP: 6.61

LogS: -6.02

Acceptors: 5

Donors: 1

Oil: SOLID

IUPACNAME: 1-{(1E)-2-[(3-bromophenyl)carbonylamino]-2-azavinyl}-2-naphthyl 3-nitrobenzoat e

Rotation Bonds: 5

Lipinski: 2

N+O: 8

Chiral Centers: 0

Smiles: [N+](c1cc(C(Oc2c(c3ccccc3cc2)/C=N\NC(c2cc(Br)ccc2)=O)=O)ccc1)([O-])=O

ID: ST097986

Formula: C22H20N2O3

MW: 360.41

LogP: 5.43

LogS: -5.13

Acceptors: 3

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]{4-[(4-methylphenoxy)methyl]phenyl}carb oxamide

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: C(c1ccc(cc1)COc1ccc(cc1)C)(N\N=C\c1c(O)cccc1)=O

ID: ST097987

Formula: C13H9BrClN3O2

MW: 354.59

LogP: 2.28

LogS: -3.75

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(5-chloro-2-hydroxyphenyl)-1-azavinyl](5-bromo(3-pyridyl))carboxamid e

Rotation Bonds: 4

Lipinski: 4

N+O: 5

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2c(ccc(c2)Cl)O)=O)cc(Br)cnc1

ID: ST097988

Formula: C23H18N2O2

MW: 354.41

LogP: 4.78

LogS: -5.05

Acceptors: 2

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl]-2-naphthylacetamide

Rotation Bonds: 4

Lipinski: 4

N+O: 4

Chiral Centers: 0

Smiles: c1(c2c(cccc2)ccc1O)/C=N\NC(Cc1c2c(cccc2)ccc1)=O

ID: ST097989

Formula: C13H8BrN5O6

MW: 410.14

LogP: 1.62

LogS: -3.69

Acceptors: 6

Donors: 2

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2-hydroxy-3,5-dinitrophenyl)-1-azavinyl](5-bromo(3-pyridyl))carboxa mide

Rotation Bonds: 3

Lipinski: 4

N+O: 11

Chiral Centers: 0

Smiles: c1([N+]([O-])=O)cc([N+]([O-])=O)cc(c1O)/C=N\NC(c1cc(Br)cnc1)=O

ID: ST097990

Formula: C21H16BrClN2O2

MW: 443.73

LogP: 6.11

LogS: -5.52

Acceptors: 2

Donors: 1

Oil: SOLID

IUPACNAME: N-((1E)-2-{2-[(4-chlorophenyl)methoxy]phenyl}-1-azavinyl)(3-bromophenyl)carbox amide

Rotation Bonds: 5

Lipinski: 3

N+O: 4

Chiral Centers: 0

Smiles: C(c1cc(Br)ccc1)(N\N=C\c1c(OCc2ccc(cc2)Cl)cccc1)=O

ID: ST097991

Formula: C26H28N2O4

MW: 432.52

LogP: 6.63

LogS: -5.96

Acceptors: 4

Donors: 1

Oil: SOLID

IUPACNAME: N-[(1E)-2-(2,4-diethoxyphenyl)-1-azavinyl]{4-[(4-methylphenyl)methoxy]phenyl}c arboxamide

Rotation Bonds: 7

Lipinski: 3

N+O: 6

Chiral Centers: 0

Smiles: C(c1ccc(OCc2ccc(cc2)C)cc1)(N\N=C\c1c(cc(cc1)OCC)OCC)=O

ID: ST097992

Formula: C31H28N4O6

MW: 552.59

LogP: 5.63

LogS: -5.85

Acceptors: 6

Donors: 4

Oil: SOLID

IUPACNAME: N-((1E)-2-{5-[(3-{(1E)-2-[(2-methoxyphenyl)carbonylamino]-2-azavinyl}-4-hydrox yphenyl)methyl]-2-hydroxyphenyl}-1-azavinyl)(2-methoxyphenyl)carboxamide

Rotation Bonds: 11

Lipinski: 3

N+O: 10

Chiral Centers: 0

Smiles: c1(C(N\N=C\c2c(ccc(c2)Cc2cc(/C=N\NC(c3c(OC)cccc3)=O)c(cc2)O)O)=O)c(OC)cccc1

ID: ST097993

Formula: C17H17N3O4

MW: 327.34

LogP: 2.15

LogS: -3.66

Acceptors: 4

Donors: 4

Oil: SOLID

IUPACNAME: N-(4-{N-[(1E)-2-(2,4-dihydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)propanamide

Rotation Bonds: 5

Lipinski: 4

N+O: 7

Chiral Centers: 0

Smiles: C(c1ccc(NC(=O)CC)cc1)(N\N=C\c1c(cc(cc1)O)O)=O

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Glass Plates


Glass backed TLC Plates.


The support used most often in TLC is the glass plate due to its chemical resistance and the ease of handling the plate.

Thin Layer Chromatography (TLC) is a part of solid-liquid adsorption chromatography, which is a kind of micro scale, fast and simple chromatography developed in recent years and possessed of both column chromatography and paper chromatography’s advantages.

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