Type:
Small moleculeAlogP:
2.19Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.57DETAILSType:
Small moleculeAlogP:
4.11Polar Surface Area:
218.02HBA:
11HBD:
6#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.15DETAILSType:
Small moleculeAlogP:
-0.65Polar Surface Area:
223.92HBA:
11HBD:
5#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILSType:
Small moleculeAlogP:
-0.65Polar Surface Area:
223.92HBA:
11HBD:
5#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILSType:
Small moleculeAlogP:
4.97Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILSType:
Small moleculeAlogP:
2.07Polar Surface Area:
80.92HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.59DETAILSType:
Small moleculeAlogP:
2.29Polar Surface Area:
80.92HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILSType:
Small moleculeAlogP:
4.06Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.66DETAILS- Tetrahydrocortisol
Name:
5beta-Pregnan-3a,11beta,17a,21-tetrol-20-oneMol. 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 Type:
Small moleculeAlogP:
4.29Polar Surface Area:
51.21HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILSType:
Small moleculeAlogP:
3.23Polar Surface Area:
117.97HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILSType:
Small moleculeAlogP:
0.57Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.61DETAILSType:
Small moleculeAlogP:
2.84Polar Surface Area:
52.49HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.65DETAILSType:
Small moleculeAlogP:
2.44Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.62DETAILSType:
Small moleculeAlogP:
1.47Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.54DETAILS