Type:
UnknownAlogP:
4.91Polar Surface Area:
38.88HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
UnknownAlogP:
5.22Polar Surface Area:
92.27HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
3.89Polar Surface Area:
107.37HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
UnknownAlogP:
3.39Polar Surface Area:
155.18HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS
ALA4129167Name:
N-(4-chlorophenyl)isoxazole-5-carboxamideCas Number:
883061-24-3Mol. Formula:
C10H7ClN2O2M.W.:
222.63Type:
Small moleculeAlogP:
2.58Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.85DETAILS-
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
68.31HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.00Polar Surface Area:
57.90HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.16Polar Surface Area:
98.36HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
4.17Polar Surface Area:
107.59HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
2.51Polar Surface Area:
71.75HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
3.26Polar Surface Area:
101.93HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
2.03Polar Surface Area:
125.32HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
114.32HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.82Polar Surface Area:
103.32HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
2.03Polar Surface Area:
125.32HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
7.42Polar Surface Area:
61.96HBA:
2HBD:
2#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
112.51HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
50.44HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
55.76HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
69.59HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS
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