Type:
Small moleculeAlogP:
0.50Polar Surface Area:
156.91HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
0.15Polar Surface Area:
156.91HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
0.50Polar Surface Area:
156.91HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
0.66Polar Surface Area:
180.88HBA:
12HBD:
4#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
Small moleculeAlogP:
0.49Polar Surface Area:
209.90HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS-
Type:
Small moleculeAlogP:
4.88Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
2.45Polar Surface Area:
61.69HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
2.79Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.77DETAILS - ALA1908074
Name:
16alpha-Hydroxy-17alpha-estradiolCas Number:
547-81-9Mol. Formula:
C18H24O3M.W.:
288.39Type:
Small moleculeAlogP:
2.58Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
3.49Polar Surface Area:
105.45HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
144.14HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
3.69Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.57Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA1908049
Name:
5beta-Pregnan-3beta-ol-20-oneCas Number:
128-21-2Mol. Formula:
C21H34O2M.W.:
318.50Type:
Small moleculeAlogP:
4.60Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA1908024
Name:
5-ethyl-5-(p-OH-phenyl)barbituric AcidCas Number:
379-34-0Mol. Formula:
C12H12N2O4M.W.:
248.24Type:
Small moleculeAlogP:
0.41Polar Surface Area:
95.50HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA1908014
Name:
4-Androsten-16alpha-ol-3,17dioneCas Number:
63-02-5Mol. Formula:
C19H26O3M.W.:
302.41Type:
Small moleculeAlogP:
3.06Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
6.36Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
6.50Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.16Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
3.69Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS
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