ALA2074802Name:
16alpha,17beta-Estriol 16-(beta-D-glucuronide)Cas Number:
1852-50-2Mol. Formula:
C24H32O9M.W.:
464.51Type:
Small moleculeAlogP:
0.50Polar Surface Area:
156.91HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA2074797Name:
16alpha,17beta-Estriol 3-sulfateCas Number:
481-95-8Mol. Formula:
C18H24O6SM.W.:
368.45Type:
Small moleculeAlogP:
2.06Polar Surface Area:
104.06HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
1.17Polar Surface Area:
136.68HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA2074584Name:
Glycolithocholate-3-sulfateCas Number:
15324-64-8Mol. Formula:
C26H43NO7SM.W.:
513.70Type:
Small moleculeAlogP:
4.45Polar Surface Area:
130.00HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA1236070Name:
16alpha,17beta-Estriol 3-(beta-D-glucuronide)Cas Number:
2479-91-6Mol. Formula:
C24H32O9M.W.:
464.51Type:
Small moleculeAlogP:
0.15Polar Surface Area:
156.91HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS
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