Type:
Small moleculeAlogP:
2.25Polar Surface Area:
69.56HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
UnknownAlogP:
0.47Polar Surface Area:
103.85HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
UnknownAlogP:
1.22Polar Surface Area:
83.62HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
UnknownAlogP:
1.22Polar Surface Area:
89.79HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
UnknownAlogP:
1.70Polar Surface Area:
100.69HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS-
Type:
UnknownAlogP:
1.31Polar Surface Area:
100.69HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
UnknownAlogP:
0.08Polar Surface Area:
103.85HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
1.48Polar Surface Area:
65.04HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
1.30Polar Surface Area:
86.86HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4074975
Name:
6-amino-2-chloro-5-fluoronicotinonitrileCas Number:
1448776-04-2Mol. Formula:
C6H3ClFN3M.W.:
171.56Type:
Small moleculeAlogP:
1.33Polar Surface Area:
62.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
29.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.43Polar Surface Area:
29.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
5.62Polar Surface Area:
30.71HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.76Polar Surface Area:
29.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
4.51Polar Surface Area:
29.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
4.87Polar Surface Area:
61.94HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.01Polar Surface Area:
58.95HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.87Polar Surface Area:
52.71HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
67.23HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
3.78Polar Surface Area:
58.95HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS
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