Type:
UnknownAlogP:
2.87Polar Surface Area:
76.02HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS
Type:
UnknownAlogP:
5.76Polar Surface Area:
41.05HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
UnknownAlogP:
2.16Polar Surface Area:
55.98HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.83DETAILS
Type:
UnknownAlogP:
4.97Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
UnknownAlogP:
2.28Polar Surface Area:
68.01HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS- ALA4474546
Name:
5-(4-Carbamoylphenyl)pyridine-3-carboxylic AcidMol. Formula:
C13H10N2O3M.W.:
242.23Type:
UnknownAlogP:
1.55Polar Surface Area:
93.28HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
UnknownAlogP:
3.70Polar Surface Area:
41.05HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
2.45Polar Surface Area:
50.19HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.81DETAILS -
Type:
UnknownAlogP:
5.00Polar Surface Area:
50.28HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
UnknownAlogP:
1.18Polar Surface Area:
91.23HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4522631
Name:
4-(pyridin-3-yl)benzamideCas Number:
1138239-36-7Mol. Formula:
C12H10N2OM.W.:
198.22Type:
UnknownAlogP:
1.85Polar Surface Area:
55.98HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
3.57Polar Surface Area:
50.28HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
3.14Polar Surface Area:
76.02HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
UnknownAlogP:
5.31Polar Surface Area:
75.19HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
1.86Polar Surface Area:
65.21HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
4.88Polar Surface Area:
76.58HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
5.63Polar Surface Area:
67.35HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
5.01Polar Surface Area:
67.35HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
2.25Polar Surface Area:
73.80HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
2.91Polar Surface Area:
76.02HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS
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