Type:
Small moleculeAlogP:
4.92Polar Surface Area:
112.95HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
Small moleculeAlogP:
5.30Polar Surface Area:
104.16HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
4.65Polar Surface Area:
100.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA469774Name:
N-(4-carbamoylphenyl)-4-(2-chloro-4-nitrophenoxy)benzamideMol. Formula:
C20H14ClN3O5M.W.:
411.80Type:
Small moleculeAlogP:
4.39Polar Surface Area:
124.56HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
2.76Polar Surface Area:
127.36HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS-
Type:
Small moleculeAlogP:
3.68Polar Surface Area:
128.51HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA469559
Name:
N-(3-(5,7-dimethylbenzo[d]oxazol-2-yl)phenyl)-3-(3-nitrophenyl)acrylamideMol. Formula:
C24H19N3O4M.W.:
413.43Type:
Small moleculeAlogP:
5.67Polar Surface Area:
98.27HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA471442
Name:
N-(naphthalen-1-yl)-3-(3-nitrobenzamido)benzamideMol. Formula:
C24H17N3O4M.W.:
411.42Type:
Small moleculeAlogP:
5.25Polar Surface Area:
101.34HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA471236
Name:
N-(3-(1,3-dioxo-2-phenylisoindolin-5-yloxy)phenyl)-3-nitrobenzamideMol. Formula:
C27H17N3O6M.W.:
479.45Type:
Small moleculeAlogP:
5.44Polar Surface Area:
118.85HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA511135
Name:
4-(3-phenylureido)-N-(4-(3-phenylureido)phenyl)benzamideMol. Formula:
C27H23N5O3M.W.:
465.51Type:
Small moleculeAlogP:
6.23Polar Surface Area:
111.36HBA:
3HBD:
5#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
5.26Polar Surface Area:
96.96HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
0.83Polar Surface Area:
153.81HBA:
11HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA470181
Name:
N'-(3,4-dichlorobenzoyloxy)-3-((pyridin-2-ylthio)methyl)benzimidamideMol. Formula:
C20H15Cl2N3O2SM.W.:
432.33Type:
Small moleculeAlogP:
5.16Polar Surface Area:
77.57HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
5.76Polar Surface Area:
126.94HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
6.44Polar Surface Area:
107.49HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
6.08Polar Surface Area:
115.06HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
5.79Polar Surface Area:
106.35HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA471462
Name:
N-(2-methoxyphenylcarbamoyl)-4-(1,2,3-thiadiazol-4-yl)benzamideMol. Formula:
C17H14N4O3SM.W.:
354.39Type:
Small moleculeAlogP:
3.18Polar Surface Area:
93.21HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
5.14Polar Surface Area:
136.94HBA:
10HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA512326
Name:
N-(3-(1H-benzo[d]imidazol-2-yl)phenyl)-4-methylbenzamideMol. Formula:
C21H17N3OM.W.:
327.39Type:
Small moleculeAlogP:
4.79Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS
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