- ALA3786691
Name:
Methyl 2-Cyano-3,12-dioxoolean-9(11)-en-28-oateMol. Formula:
C32H45NO4M.W.:
507.72Type:
Small moleculeAlogP:
6.46Polar Surface Area:
84.23HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA3787129
Name:
Methyl 3,12-dioxoolean-9(11)-en-28-oateCas Number:
218600-50-1Mol. Formula:
C31H46O4M.W.:
482.71Type:
Small moleculeAlogP:
6.71Polar Surface Area:
60.44HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA3785616
Name:
Methyl 3beta-Acetoxy-12-oxoolean-9(11)-en-28-oateMol. Formula:
C33H50O5M.W.:
526.76Type:
Small moleculeAlogP:
7.07Polar Surface Area:
69.67HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS Type:
Small moleculeAlogP:
2.90Polar Surface Area:
77.38HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILSType:
Small moleculeAlogP:
3.20Polar Surface Area:
66.38HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILSType:
Small moleculeAlogP:
2.90Polar Surface Area:
77.38HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILSType:
Small moleculeAlogP:
2.83Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILSType:
Small moleculeAlogP:
4.27Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS