Type:
Small moleculeAlogP:
5.07Polar Surface Area:
62.58HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
Small moleculeAlogP:
5.01Polar Surface Area:
62.58HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
Small moleculeAlogP:
6.92Polar Surface Area:
79.77HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
Small moleculeAlogP:
5.38Polar Surface Area:
81.16HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
1.60Polar Surface Area:
69.86HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS-
Type:
Small moleculeAlogP:
0.38Polar Surface Area:
64.20HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
0.41Polar Surface Area:
54.97HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
0.47Polar Surface Area:
81.27HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
0.41Polar Surface Area:
54.97HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
0.26Polar Surface Area:
116.59HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
2.33Polar Surface Area:
50.04HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
2.33Polar Surface Area:
50.04HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
82.78HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
50.04HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
50.04HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA107239
Name:
6-Aziridin-1-yl-2-pyridin-2-yl-quinoline-5,8-dioneMol. Formula:
C16H11N3O2M.W.:
277.28Type:
Small moleculeAlogP:
1.72Polar Surface Area:
62.93HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
1.08Polar Surface Area:
81.27HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
1.85Polar Surface Area:
107.36HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
0.37Polar Surface Area:
107.36HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS
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