Type:
UnknownAlogP:
4.65Polar Surface Area:
53.60HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
UnknownAlogP:
4.07Polar Surface Area:
66.49HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
UnknownAlogP:
3.24Polar Surface Area:
88.16HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
2.41Polar Surface Area:
48.95HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.80DETAILS
Type:
Small moleculeAlogP:
4.20Polar Surface Area:
211.15HBA:
13HBD:
5#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS-
Type:
UnknownAlogP:
2.95Polar Surface Area:
53.23HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
4.65Polar Surface Area:
53.60HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
5.30Polar Surface Area:
53.60HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA3911312
Name:
US9333197, 6alpha-HydroxypaclitaxelCas Number:
153212-75-0Mol. Formula:
C47H51NO15M.W.:
869.92Type:
Small moleculeAlogP:
2.71Polar Surface Area:
241.52HBA:
15HBD:
5#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
3.63Polar Surface Area:
90.14HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
5.62Polar Surface Area:
86.90HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
3.06Polar Surface Area:
82.45HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
8.01Polar Surface Area:
107.72HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
8.65Polar Surface Area:
90.65HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
2.98Polar Surface Area:
96.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
92.36HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA2181817
Name:
Gemfibrozil-1-O-beta-glucuronideCas Number:
91683-38-4Mol. Formula:
C21H30O9M.W.:
426.46Type:
Small moleculeAlogP:
0.92Polar Surface Area:
142.75HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.07Polar Surface Area:
95.41HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
3.92Polar Surface Area:
90.01HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.34Polar Surface Area:
101.45HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.53DETAILS
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