Type:
---AlogP:
4.85Polar Surface Area:
125.82HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
---AlogP:
3.80Polar Surface Area:
103.70HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
---AlogP:
4.85Polar Surface Area:
125.82HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
---AlogP:
5.60Polar Surface Area:
112.93HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
---AlogP:
4.85Polar Surface Area:
125.82HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS-
Type:
Small moleculeAlogP:
3.42Polar Surface Area:
264.63HBA:
14HBD:
6#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA3956446
Name:
Volixibat ammoniumCas Number:
1025019-31-1Mol. Formula:
C38H54N4O12S2M.W.:
823.00Type:
Small moleculeAlogP:
3.59Polar Surface Area:
221.26HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
177.89HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
4.37Polar Surface Area:
221.26HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
5.99Polar Surface Area:
166.89HBA:
10HBD:
5#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
4.55Polar Surface Area:
177.89HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
121.80HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
5.62Polar Surface Area:
55.40HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
4.70Polar Surface Area:
72.47HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
2.94Polar Surface Area:
137.10HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
3.97Polar Surface Area:
136.04HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
3.73Polar Surface Area:
98.74HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
112.93HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
4.45Polar Surface Area:
104.73HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
142.03HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.24DETAILS
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