Type:
UnknownAlogP:
4.48Polar Surface Area:
24.92HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA4530091Name:
N-(3-Chlorobenzyl)-2-((5-chlorothiophen-2-yl)ethynyl)-9H-purin-6-amineMol. Formula:
C18H11Cl2N5SM.W.:
400.29Type:
UnknownAlogP:
4.73Polar Surface Area:
66.49HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
75.65HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
75.65HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
Small moleculeAlogP:
0.61Polar Surface Area:
75.65HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.74DETAILS-
Type:
Small moleculeAlogP:
-0.15Polar Surface Area:
75.65HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA493674
Name:
2-[1-(Biphenyl-2-yloxy)-1-methoxy-ethyl]-4,5-dihydro-1H-imidazoleMol. Formula:
C18H20N2O2M.W.:
296.37Type:
Small moleculeAlogP:
3.10Polar Surface Area:
42.85HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
2.88Polar Surface Area:
102.27HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.74Polar Surface Area:
93.40HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.16Polar Surface Area:
73.17HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
5.82Polar Surface Area:
73.17HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.56Polar Surface Area:
67.86HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
6.70Polar Surface Area:
44.07HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.82Polar Surface Area:
44.07HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
5.69Polar Surface Area:
53.30HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS
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