Type:
Small moleculeAlogP:
2.79Polar Surface Area:
135.16HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
3.41Polar Surface Area:
94.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
Small moleculeAlogP:
0.90Polar Surface Area:
94.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
Small moleculeAlogP:
4.25Polar Surface Area:
103.26HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
Small moleculeAlogP:
4.19Polar Surface Area:
94.03HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS-
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
103.26HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
114.34HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.34Polar Surface Area:
114.34HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
114.34HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
114.34HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
114.34HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
135.16HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
123.13HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
2.25Polar Surface Area:
114.34HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
1.20Polar Surface Area:
106.06HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
2.39Polar Surface Area:
94.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
2.78Polar Surface Area:
94.03HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
3.54Polar Surface Area:
133.55HBA:
4HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
4.12Polar Surface Area:
66.24HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA563744
Name:
methyl 2-(4-benzyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-ylthio)acetateMol. Formula:
C18H17N3O3SM.W.:
355.42Type:
Small moleculeAlogP:
2.96Polar Surface Area:
77.24HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS
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