ALA4291236Name:
2alpha,3beta,23-Trihydroxy-N-(phenylmethyl)-urs-12-en-28-amideMol. Formula:
C37H55NO4M.W.:
577.85Type:
Small moleculeAlogP:
6.26Polar Surface Area:
89.79HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS
ALA4280590Name:
2alpha,3beta,23-Tris(acetyloxy)-N-piperazinyl-urs-12-en-28-amideMol. Formula:
C40H62N2O7M.W.:
682.94Type:
Small moleculeAlogP:
6.09Polar Surface Area:
111.24HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.21DETAILS
ALA4277168Name:
2alpha,3beta,23-Tris(acetyloxy)-N-(phenylmethyl)-urs-12-en-28-amideMol. Formula:
C43H61NO7M.W.:
703.96Type:
Small moleculeAlogP:
7.98Polar Surface Area:
108.00HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
1.62Polar Surface Area:
78.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS-
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA3319671
Name:
ethyl 2-(4-chlorophenyl)-2-methyl-3-nitropropanoateMol. Formula:
C12H14ClNO4M.W.:
271.70Type:
Small moleculeAlogP:
2.44Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3319670
Name:
ethyl 3-nitro-2-(4-(trifluoromethyl)phenyl)propanoateMol. Formula:
C12H12F3NO4M.W.:
291.22Type:
Small moleculeAlogP:
2.63Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
1.92Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
1.61Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
1.87Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3319287
Name:
ethyl 3-nitro-2-(3-(trifluoromethoxy)phenyl)propanoateMol. Formula:
C12H12F3NO5M.W.:
307.22Type:
Small moleculeAlogP:
2.51Polar Surface Area:
78.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3319286
Name:
ethyl 3-nitro-2-(3-(trifluoromethyl)phenyl)propanoateMol. Formula:
C12H12F3NO4M.W.:
291.22Type:
Small moleculeAlogP:
2.63Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3319285
Name:
2-(4-chlorophenyl)-N,N-dimethyl-3-nitropropanamideMol. Formula:
C11H13ClN2O3M.W.:
256.69Type:
Small moleculeAlogP:
1.79Polar Surface Area:
63.45HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
1.19Polar Surface Area:
86.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
69.44HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3086616
Name:
Ethyl(2alpha,3beta)2,3-dihydroxy-28-oxo-olean-12-en-28-amideMol. Formula:
C32H53NO3M.W.:
499.78Type:
Small moleculeAlogP:
6.26Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA3086608
Name:
3-Butyn-1-yl(2alpha,3beta)2,3-dihydroxy-olean-12-en-28-oateMol. Formula:
C34H52O4M.W.:
524.79Type:
Small moleculeAlogP:
6.69Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA3086602
Name:
3-Hydroxy-prop-1-yl(2alpha,3beta)2,3-dihydroxy-olean-12-en-28-oateMol. Formula:
C33H54O5M.W.:
530.79Type:
Small moleculeAlogP:
6.05Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.23DETAILS
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