ALA4860378Name:
5-amino-2,4-dimethylpyridiniumCas Number:
1193-71-1Mol. Formula:
C7H10N2M.W.:
122.17Type:
UnknownAlogP:
1.28Polar Surface Area:
38.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.56DETAILS
Type:
---AlogP:
1.70Polar Surface Area:
12.89HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
-0.44Polar Surface Area:
90.79HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA3781516Name:
5-(dimethylamino)pyrimidine-2,4(1H,3H)-dioneCas Number:
37454-51-6Mol. Formula:
C6H9N3O2M.W.:
155.16Type:
Small moleculeAlogP:
-0.87Polar Surface Area:
68.96HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA3781769Name:
5,7-diazaspiro[2.5]octane-4,6,8-trioneCas Number:
6947-77-9Mol. Formula:
C6H6N2O3M.W.:
154.12Type:
Small moleculeAlogP:
-0.87Polar Surface Area:
75.27HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.45DETAILS- ALA3780013
Name:
5-acetylpyrimidine-2,4(1H,3H)-dioneCas Number:
6214-65-9Mol. Formula:
C6H6N2O3M.W.:
154.12Type:
Small moleculeAlogP:
-0.73Polar Surface Area:
82.79HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
-0.47Polar Surface Area:
98.07HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
31.50HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS
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