 |
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
|
