Type:
---AlogP:
5.47Polar Surface Area:
112.44HBA:
8HBD:
5#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
43.14HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA4101450Name:
3-(4-(2-methylpropyl))butan-2-oneCas Number:
64758-90-3Mol. Formula:
C14H20OM.W.:
204.31Type:
Small moleculeAlogP:
3.58Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
2.98Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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