ALA5279739Name:
5-(4-(tert-butyl)-2-fluorophenyl)pyrazin-2-amineMol. Formula:
C14H16FN3M.W.:
245.30Type:
---AlogP:
3.16Polar Surface Area:
51.80HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
---AlogP:
5.80Polar Surface Area:
81.02HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
---AlogP:
5.65Polar Surface Area:
87.44HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
---AlogP:
5.70Polar Surface Area:
81.02HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
---AlogP:
4.77Polar Surface Area:
110.70HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS-
Type:
UnknownAlogP:
3.13Polar Surface Area:
144.72HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
3.75Polar Surface Area:
92.67HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
3.27Polar Surface Area:
144.72HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA4287848
Name:
4-(4-chlorophenyl)-3-methyl-5-(4-(quinolin-2-ylmethoxy)phenyl)isoxazoleMol. Formula:
C26H19ClN2O2M.W.:
426.90Type:
Small moleculeAlogP:
7.10Polar Surface Area:
48.15HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
7.80Polar Surface Area:
59.64HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
7.91Polar Surface Area:
68.01HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
7.11Polar Surface Area:
55.12HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
7.35Polar Surface Area:
41.61HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.90Polar Surface Area:
93.41HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
8.45Polar Surface Area:
55.12HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
6.79Polar Surface Area:
55.12HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.27Polar Surface Area:
72.28HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
6.04Polar Surface Area:
80.52HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
6.72Polar Surface Area:
55.12HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
5.70Polar Surface Area:
69.43HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS
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