ALA5283325Name:
9-chloro-6-(3-methylpiperazin-1-yl)-11H-indeno[1,2-c]quinolin-11-oneMol. Formula:
C21H18ClN3OM.W.:
363.85Type:
---AlogP:
3.90Polar Surface Area:
45.23HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
---AlogP:
4.44Polar Surface Area:
66.92HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
Small moleculeAlogP:
-1.33Polar Surface Area:
139.54HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
5.45Polar Surface Area:
135.73HBA:
9HBD:
4#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
Small moleculeAlogP:
5.59Polar Surface Area:
136.06HBA:
9HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS-
Type:
Small moleculeAlogP:
5.96Polar Surface Area:
60.71HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
5.96Polar Surface Area:
60.71HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA3740329
Name:
(E)-2-(3,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)acrylonitrileMol. Formula:
C18H17NO4M.W.:
311.34Type:
Small moleculeAlogP:
3.48Polar Surface Area:
71.71HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA3741917
Name:
(Z)-2-(3,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)acrylonitrileMol. Formula:
C18H17NO4M.W.:
311.34Type:
Small moleculeAlogP:
3.48Polar Surface Area:
71.71HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA3740458
Name:
(Z)-2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)acrylonitrileMol. Formula:
C18H17NO3M.W.:
295.34Type:
Small moleculeAlogP:
3.78Polar Surface Area:
51.48HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3741506
Name:
(Z)-3-(3,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acrylonitrileMol. Formula:
C20H21NO5M.W.:
355.39Type:
Small moleculeAlogP:
3.79Polar Surface Area:
69.94HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
6.50Polar Surface Area:
90.98HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA3127831
Name:
1-Oxo-1H-isothiochromene-3-carboxylic acid(4-phenylthiazol-2-yl)-amideMol. Formula:
C19H12N2O2S2M.W.:
364.45Type:
Small moleculeAlogP:
4.64Polar Surface Area:
59.06HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA3127830
Name:
7,8-Dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid thiazol-2-ylamideMol. Formula:
C15H12N2O4S2M.W.:
348.41Type:
Small moleculeAlogP:
2.99Polar Surface Area:
77.52HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
4.97Polar Surface Area:
86.61HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
4.71Polar Surface Area:
95.84HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
4.02Polar Surface Area:
106.84HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
4.71Polar Surface Area:
95.84HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
4.02Polar Surface Area:
106.84HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
86.61HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS
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