ALA4779523Name:
4-(5-(o-tolyl)-1,3,4-oxadiazol-2-yl)benzoic acidCas Number:
924020-62-2Mol. Formula:
C16H12N2O3M.W.:
280.28Type:
UnknownAlogP:
3.41Polar Surface Area:
76.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
Small moleculeAlogP:
3.25Polar Surface Area:
122.76HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
109.62HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
Small moleculeAlogP:
1.46Polar Surface Area:
131.99HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
128.75HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS-
Type:
Small moleculeAlogP:
3.72Polar Surface Area:
109.62HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
2.24Polar Surface Area:
146.61HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.36Polar Surface Area:
109.62HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
109.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.72Polar Surface Area:
109.62HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.34Polar Surface Area:
79.62HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
4.66Polar Surface Area:
99.88HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
-3.06Polar Surface Area:
322.21HBA:
17HBD:
11#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
-0.09Polar Surface Area:
235.66HBA:
14HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
-2.83Polar Surface Area:
331.44HBA:
18HBD:
11#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
-1.26Polar Surface Area:
231.98HBA:
12HBD:
8#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
-2.47Polar Surface Area:
272.88HBA:
15HBD:
9#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
-3.11Polar Surface Area:
293.11HBA:
16HBD:
10#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
-3.78Polar Surface Area:
319.13HBA:
17HBD:
11#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
-3.78Polar Surface Area:
319.13HBA:
17HBD:
11#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.07DETAILS
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