ALA4515424Name:
n-Butyl 1alphalpha,2beta,3beta-Trihydroxy-18beta-olean-12-en-30-oateMol. Formula:
C34H56O5M.W.:
544.82Type:
UnknownAlogP:
6.43Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.22DETAILS
ALA3417157Name:
4-Chlorobenzyl 1alpha,2beta,3beta-trihydroxy-olean-12-en-28-oateMol. Formula:
C37H53ClO5M.W.:
613.28Type:
Small moleculeAlogP:
7.49Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.24DETAILS
ALA3417154Name:
2-Nitrobenzyl 1alpha,2beta,3beta-trihydroxy-olean-12-en-28-oateMol. Formula:
C37H53NO7M.W.:
623.83Type:
Small moleculeAlogP:
6.74Polar Surface Area:
130.13HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.15DETAILS
ALA3417153Name:
4-Chlorobenzyl 1alpha,2beta,3beta-trihydroxy-urs-12-en-28-oateMol. Formula:
C37H53ClO5M.W.:
613.28Type:
Small moleculeAlogP:
7.34Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.25DETAILS
ALA3417152Name:
2-Chlorobenzyl 1alpha,2beta,3beta-trihydroxy-urs-12-en-28-oateMol. Formula:
C37H53ClO5M.W.:
613.28Type:
Small moleculeAlogP:
7.34Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.25DETAILS- ALA3417151
Name:
4-Nitrobenzyl 1alpha,2beta,3beta-trihydroxy-urs-12-en-28-oateMol. Formula:
C37H53NO7M.W.:
623.83Type:
Small moleculeAlogP:
6.60Polar Surface Area:
130.13HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA3417150
Name:
2-Nitrobenzyl 1alpha,2beta,3beta-trihydroxy-urs-12-en-28-oateMol. Formula:
C37H53NO7M.W.:
623.83Type:
Small moleculeAlogP:
6.60Polar Surface Area:
130.13HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA3417135
Name:
1alpha,2beta,3beta-Trihydroxy-urs-12-en-28-oic acidMol. Formula:
C30H48O5M.W.:
488.71Type:
Small moleculeAlogP:
5.03Polar Surface Area:
97.99HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA3417134
Name:
Benzyl 1alpha,2apha-epoxy-3alpha-hydroxy-urs-12-en-28-oateMol. Formula:
C37H52O4M.W.:
560.82Type:
Small moleculeAlogP:
7.74Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA3417133
Name:
Benzyl 1alpha,2apha-epoxy-3beta-hydroxy-urs-12-en-28-oateMol. Formula:
C37H52O4M.W.:
560.82Type:
Small moleculeAlogP:
7.74Polar Surface Area:
59.06HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA3417132
Name:
1alpha,2apha-Epoxy-3beta-hydroxy-olean-12-en-28-oic acidMol. Formula:
C30H46O4M.W.:
470.69Type:
Small moleculeAlogP:
6.22Polar Surface Area:
70.06HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA3417131
Name:
Benzyl 1alpha,2apha-epoxy-3-oxo-urs-12-en-28-oateMol. Formula:
C37H50O4M.W.:
558.80Type:
Small moleculeAlogP:
7.94Polar Surface Area:
55.90HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
6.43Polar Surface Area:
66.90HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
8.73Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.28DETAILS
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