Type:
UnknownAlogP:
1.31Polar Surface Area:
71.84HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
UnknownAlogP:
1.62Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.77DETAILS
Type:
UnknownAlogP:
1.52Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
UnknownAlogP:
1.83Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
Type:
UnknownAlogP:
1.61Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
UnknownAlogP:
2.40Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA4469558
Name:
2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzoic acidCas Number:
25380-38-5Mol. Formula:
C11H11N3O2M.W.:
217.23Type:
UnknownAlogP:
1.58Polar Surface Area:
68.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
UnknownAlogP:
2.28Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS -
Type:
UnknownAlogP:
-2.65Polar Surface Area:
245.93HBA:
12HBD:
8#RO5 Violations:
3#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
UnknownAlogP:
2.17Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS -
Type:
UnknownAlogP:
0.93Polar Surface Area:
76.88HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
UnknownAlogP:
1.39Polar Surface Area:
83.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
0.18Polar Surface Area:
203.11HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.15DETAILS
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