Type:
Small moleculeAlogP:
5.34Polar Surface Area:
118.70HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA1270079Name:
1-phenyl-N-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineMol. Formula:
C18H22N6M.W.:
322.42Type:
Small moleculeAlogP:
2.71Polar Surface Area:
58.87HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
83.67HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
75.71HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
4.74Polar Surface Area:
89.87HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS-
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
116.92HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA371611
Name:
7-Chloro-4-hydroxy-quinoline-3-carboxylic acid (2-hydroxy-ethyl)-amideMol. Formula:
C12H11ClN2O3M.W.:
266.68Type:
Small moleculeAlogP:
1.32Polar Surface Area:
82.45HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
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