Type:
Small moleculeAlogP:
5.38Polar Surface Area:
55.12HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
9.72Polar Surface Area:
56.07HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
Small moleculeAlogP:
6.02Polar Surface Area:
102.01HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
Small moleculeAlogP:
5.15Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA3588895Name:
9,11-dehydrocortexolone-17alpha-butyrateCas Number:
872623-99-9Mol. Formula:
C25H34O5M.W.:
414.54Type:
Small moleculeAlogP:
4.08Polar Surface Area:
80.67HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS-
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
86.74HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.47Polar Surface Area:
203.55HBA:
13HBD:
4#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
2.21Polar Surface Area:
203.55HBA:
13HBD:
4#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
1.29Polar Surface Area:
203.55HBA:
13HBD:
4#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
0.90Polar Surface Area:
203.55HBA:
13HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
6.24Polar Surface Area:
146.72HBA:
12HBD:
5#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
70.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.96Polar Surface Area:
61.03HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.98Polar Surface Area:
79.49HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
4.89Polar Surface Area:
91.52HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
5.56Polar Surface Area:
82.29HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
2.13Polar Surface Area:
115.40HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
2.66Polar Surface Area:
72.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.86Polar Surface Area:
70.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
2.67Polar Surface Area:
81.26HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS
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