Type:
Small moleculeAlogP:
5.26Polar Surface Area:
80.92HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
5.49Polar Surface Area:
80.92HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
5.23Polar Surface Area:
71.69HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
4.78Polar Surface Area:
71.69HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
Small moleculeAlogP:
6.01Polar Surface Area:
71.69HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS-
Type:
Small moleculeAlogP:
3.97Polar Surface Area:
71.69HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
4.45Polar Surface Area:
71.69HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
3.02Polar Surface Area:
224.14HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-0.12Polar Surface Area:
152.78HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA2074825
Name:
3-O-glucuronide of ethinylestradiolCas Number:
60134-76-1Mol. Formula:
C26H32O8M.W.:
472.53Type:
Small moleculeAlogP:
1.18Polar Surface Area:
136.68HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
2.08Polar Surface Area:
246.56HBA:
10HBD:
7#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
-2.83Polar Surface Area:
201.78HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
1.74Polar Surface Area:
158.82HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
6.40Polar Surface Area:
206.63HBA:
9HBD:
7#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
6.09Polar Surface Area:
193.11HBA:
11HBD:
5#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
-0.37Polar Surface Area:
170.79HBA:
11HBD:
5#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
6.87Polar Surface Area:
124.34HBA:
10HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
1.21Polar Surface Area:
154.26HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
-0.04Polar Surface Area:
197.87HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS
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