ALA4592450Name:
Olean-12-ene-N-hydroxy-28-amid-3-oic acid epsilon-lactoneMol. Formula:
C30H47NO4M.W.:
485.71Type:
UnknownAlogP:
6.59Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
UnknownAlogP:
7.46Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
UnknownAlogP:
6.98Polar Surface Area:
81.92HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.17DETAILS
ALA4563191Name:
(2alpha,3beta)-2,3-Dihydroxy-N-hydroxyolean-12-en-28-amideMol. Formula:
C30H49NO4M.W.:
487.73Type:
UnknownAlogP:
5.63Polar Surface Area:
89.79HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.22DETAILS
ALA4562991Name:
(3beta)-3-Hydroxy-11-oxo-olean-12-ene-N-hydroxy-28-amideMol. Formula:
C30H47NO4M.W.:
485.71Type:
UnknownAlogP:
5.83Polar Surface Area:
86.63HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.32DETAILS-
Type:
UnknownAlogP:
7.12Polar Surface Area:
81.92HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
UnknownAlogP:
6.51Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
8.14Polar Surface Area:
100.90HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA4472548
Name:
A-seco-4,12-dienolean-N-hydroxy-3-amide-28-methyl esterMol. Formula:
C31H49NO4M.W.:
499.74Type:
UnknownAlogP:
7.00Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
UnknownAlogP:
6.85Polar Surface Area:
75.36HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4463388
Name:
1'H-Lup-20(29)-eno[3,2-c]-pyrazol-N-hydroxy-28-amideMol. Formula:
C31H47N3O2M.W.:
493.74Type:
UnknownAlogP:
6.59Polar Surface Area:
78.01HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
UnknownAlogP:
6.38Polar Surface Area:
84.23HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
7.32Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
UnknownAlogP:
6.98Polar Surface Area:
81.92HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.16DETAILS
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