Type:
Small moleculeAlogP:
2.59Polar Surface Area:
69.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA1908046Name:
5beta-Pregnan-3a,11beta,17a,20beta,21-pentolCas Number:
516-38-1Mol. Formula:
C21H36O5M.W.:
368.51Type:
Small moleculeAlogP:
1.45Polar Surface Area:
101.15HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS
TetrahydrocortisoneName:
TetrahydrocortisoneCas Number:
53-05-4Mol. Formula:
C21H32O5M.W.:
364.48Type:
Small moleculeAlogP:
1.86Polar Surface Area:
94.83HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS- ALA1908042
Name:
5beta-Pregnan-3a,17a,20beta,21-tetrol-11-oneCas Number:
516-42-7Mol. Formula:
C21H34O5M.W.:
366.50Type:
Small moleculeAlogP:
1.65Polar Surface Area:
97.99HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA1908041
Name:
5beta-Pregnan-3a,17a,20a-triolCas Number:
1165-28-2Mol. Formula:
C21H36O3M.W.:
336.52Type:
Small moleculeAlogP:
3.50Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.54Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA1908039
Name:
5beta-Pregnan-3a,11beta,17a-triol-20-oneCas Number:
7252-91-7Mol. Formula:
C21H34O4M.W.:
350.50Type:
Small moleculeAlogP:
2.68Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA1908027
Name:
5alpha-Androstane-3alpha,16alpha-diol-17-oneCas Number:
14167-49-8Mol. Formula:
C19H30O3M.W.:
306.45Type:
Small moleculeAlogP:
2.93Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.72DETAILS
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