Type:
UnknownAlogP:
3.56Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
UnknownAlogP:
3.28Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
UnknownAlogP:
4.02Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
UnknownAlogP:
3.28Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
UnknownAlogP:
3.28Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS-
Type:
Small moleculeAlogP:
3.10Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.02Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
6.22Polar Surface Area:
78.87HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
6.62Polar Surface Area:
78.87HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
5.27Polar Surface Area:
135.46HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
2.93Polar Surface Area:
137.83HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA4175505
Name:
17alpha-[(3'-Butylthioureido)methyl]estra-1,3,5(10)-triene-3,17beta-diolMol. Formula:
C24H36N2O2SM.W.:
416.63Type:
Small moleculeAlogP:
4.24Polar Surface Area:
64.52HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
7.06Polar Surface Area:
88.10HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
84.86HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
3.06Polar Surface Area:
137.83HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
137.83HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4170612
Name:
17alpha-[(3'-Phenylthioureido)methyl]-5alpha-androstane-3beta,17beta-diolMol. Formula:
C27H40N2O2SM.W.:
456.70Type:
Small moleculeAlogP:
5.11Polar Surface Area:
64.52HBA:
3HBD:
4#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
105.17HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.09Polar Surface Area:
78.87HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS
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