Type:
Small moleculeAlogP:
2.60Polar Surface Area:
147.41HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
Small moleculeAlogP:
2.87Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
Small moleculeAlogP:
2.62Polar Surface Area:
95.32HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
1.53Polar Surface Area:
106.32HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS-
Type:
Small moleculeAlogP:
5.55Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
95.32HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
3.76Polar Surface Area:
109.88HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
5.23Polar Surface Area:
95.74HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
67.87HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.84Polar Surface Area:
115.19HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.24Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
95.32HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4245957
Name:
6-(1-tosylpiperidin-4-ylamino)nicotinonitrileMol. Formula:
C18H20N4O2SM.W.:
356.45Type:
Small moleculeAlogP:
2.53Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
86.09HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
2.66Polar Surface Area:
71.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
71.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
5.96Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
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