Type:
Small moleculeAlogP:
2.51Polar Surface Area:
83.54HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
Small moleculeAlogP:
3.52Polar Surface Area:
55.63HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA4175366Name:
6-(Cyclopentylamino)-9-methyl-8-phenyl-9H-purineMol. Formula:
C17H19N5M.W.:
293.37Type:
Small moleculeAlogP:
3.38Polar Surface Area:
55.63HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
Small moleculeAlogP:
3.09Polar Surface Area:
75.86HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA4170850Name:
6-(Cyclopentylamino)-9-methyl-8-m-tolyl-9H-purineMol. Formula:
C18H21N5M.W.:
307.40Type:
Small moleculeAlogP:
3.69Polar Surface Area:
55.63HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS- ALA4170460
Name:
6-(Cyclopentylamino)-9-methyl-8-p-tolyl-9H-purineMol. Formula:
C18H21N5M.W.:
307.40Type:
Small moleculeAlogP:
3.69Polar Surface Area:
55.63HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
1.09Polar Surface Area:
143.65HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
1.10Polar Surface Area:
125.19HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
2.27Polar Surface Area:
125.19HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
1.82Polar Surface Area:
151.49HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
1.73Polar Surface Area:
162.49HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
0.72Polar Surface Area:
180.31HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
1.73Polar Surface Area:
162.49HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
-0.52Polar Surface Area:
134.42HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
0.89Polar Surface Area:
183.39HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
0.72Polar Surface Area:
180.31HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.11DETAILS
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