ALA4283413Name:
4-(1,5-bis(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)benzene-1,2-diolMol. Formula:
C21H16Cl2N2O2M.W.:
399.28Type:
Small moleculeAlogP:
5.76Polar Surface Area:
56.06HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
4.37Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
4.22Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
5.25Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
Small moleculeAlogP:
3.09Polar Surface Area:
104.06HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS-
Type:
Small moleculeAlogP:
3.76Polar Surface Area:
83.02HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.38Polar Surface Area:
116.09HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
3.03Polar Surface Area:
116.09HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
2.40Polar Surface Area:
130.08HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
2.92Polar Surface Area:
130.08HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
2.27Polar Surface Area:
139.31HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
104.06HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
8.57Polar Surface Area:
116.09HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
4.29Polar Surface Area:
116.09HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
130.08HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
3.47Polar Surface Area:
113.29HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
3.80Polar Surface Area:
104.06HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
104.06HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
4.30Polar Surface Area:
125.32HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
4.60Polar Surface Area:
116.09HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS
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