ALA2334424Name:
(E)-2-(2-cyanophenyl)-2-((4-methoxyphenyl)diazenyl)acetamideMol. Formula:
C16H14N4O2M.W.:
294.31Type:
Small moleculeAlogP:
2.88Polar Surface Area:
100.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA2334423Name:
(E)-2-(2-cyanophenyl)-2-(p-tolyldiazenyl)acetamideMol. Formula:
C16H14N4OM.W.:
278.31Type:
Small moleculeAlogP:
3.18Polar Surface Area:
91.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS
ALA2334128Name:
(E)-2-((4-chlorophenyl)diazenyl)-2-(2-cyanophenyl)acetamideMol. Formula:
C15H11ClN4OM.W.:
298.73Type:
Small moleculeAlogP:
3.52Polar Surface Area:
91.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS
ALA2334127Name:
(E)-2-(2-cyanophenyl)-2-(phenyldiazenyl)acetamideMol. Formula:
C15H12N4OM.W.:
264.29Type:
Small moleculeAlogP:
2.87Polar Surface Area:
91.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA2334126Name:
(E)-2-(Cyano((4-nitrophenyl)diazenyl)methyl)benzonitrileMol. Formula:
C15H9N5O2M.W.:
291.27Type:
Small moleculeAlogP:
3.82Polar Surface Area:
115.44HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS- ALA2334125
Name:
(E)-2-(Cyano((4-methoxyphenyl)diazenyl)methyl)benzonitrileMol. Formula:
C16H12N4OM.W.:
276.30Type:
Small moleculeAlogP:
3.92Polar Surface Area:
81.53HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
4.22Polar Surface Area:
72.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2334123
Name:
(E)-2-(((4-Chlorophenyl)diazenyl)(cyano)methyl)benzonitrileMol. Formula:
C15H9ClN4M.W.:
280.72Type:
Small moleculeAlogP:
4.56Polar Surface Area:
72.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
72.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
1.62Polar Surface Area:
47.58HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.60DETAILS - ALA2334120
Name:
(Z)-2-(1-cyano-2-(3,4,5-trimethoxyphenyl)vinyl)benzonitrileMol. Formula:
C19H16N2O3M.W.:
320.35Type:
Small moleculeAlogP:
3.65Polar Surface Area:
75.27HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2334119
Name:
(Z)-2-(1-cyano-2-(4-methoxyphenyl)vinyl)benzonitrileMol. Formula:
C17H12N2OM.W.:
260.30Type:
Small moleculeAlogP:
3.63Polar Surface Area:
56.81HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2334118
Name:
(Z)-2-(2-(4-chlorophenyl)-1-cyanovinyl)benzonitrileMol. Formula:
C16H9ClN2M.W.:
264.71Type:
Small moleculeAlogP:
4.28Polar Surface Area:
47.58HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA2334117
Name:
4-Amino-2-(3,4,5-trimethoxyphenyl)naphthalene-1,3-dicarbonitrileMol. Formula:
C21H17N3O3M.W.:
359.39Type:
Small moleculeAlogP:
3.86Polar Surface Area:
101.29HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
3.50Polar Surface Area:
104.45HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA2334115
Name:
2-(4-Chlorophenyl)-4-imino-1,2-dihydronaphthalene-1,3,3(4H)-tricarbonitrileMol. Formula:
C19H11ClN4M.W.:
330.78Type:
Small moleculeAlogP:
4.15Polar Surface Area:
95.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2334114
Name:
2-(4-Nitrophenyl)-2H-[1,2,3]triazolo[4,5-c]isoquinolin-5(4H)-imineMol. Formula:
C15H10N6O2M.W.:
306.29Type:
Small moleculeAlogP:
2.29Polar Surface Area:
113.49HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA2334113
Name:
2-(4-Methoxyphenyl)-2H-[1,2,3]triazolo[4,5-c]isoquinolin-5(4H)-imineMol. Formula:
C16H13N5OM.W.:
291.31Type:
Small moleculeAlogP:
2.39Polar Surface Area:
79.58HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2334112
Name:
2-p-Tolyl-2H-[1,2,3]triazolo[4,5-c]isoquinolin-5(4H)-imineMol. Formula:
C16H13N5M.W.:
275.32Type:
Small moleculeAlogP:
2.69Polar Surface Area:
70.35HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2334111
Name:
2-(4-Chlorophenyl)-2H-[1,2,3]triazolo[4,5-c]isoquinolin-5(4H)-imineMol. Formula:
C15H10ClN5M.W.:
295.73Type:
Small moleculeAlogP:
3.03Polar Surface Area:
70.35HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS
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