ALA5278813Name:
(4R)-3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-oneMol. Formula:
C14H14N4OM.W.:
254.29Type:
---AlogP:
1.73Polar Surface Area:
59.28HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS
ALA5283704Name:
6,7-dichloro-3-hydroxy-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-2-oneMol. Formula:
C10H7Cl2N3O2M.W.:
272.09Type:
---AlogP:
1.24Polar Surface Area:
64.93HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
Small moleculeAlogP:
1.28Polar Surface Area:
76.86HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
1.28Polar Surface Area:
76.86HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
0.66Polar Surface Area:
76.86HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS-
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
2.56Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
1.17Polar Surface Area:
76.86HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
0.66Polar Surface Area:
76.86HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
0.52Polar Surface Area:
76.86HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA3144657
Name:
2-Butyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-oneMol. Formula:
C14H15N3OM.W.:
241.29Type:
Small moleculeAlogP:
2.68Polar Surface Area:
50.68HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS - ALA2114202
Name:
6-Pyridin-4-yl-5-trifluoromethyl-1,3-dihydro-imidazo[4,5-b]pyridin-2-oneMol. Formula:
C13H7F5N4OM.W.:
330.22Type:
Small moleculeAlogP:
3.33Polar Surface Area:
74.69HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
0.47Polar Surface Area:
59.80HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.47DETAILS - ALA2069992
Name:
5-(4-bromobenzyl)-6-oxo-2-phenyl-1,6-dihydropyridine-3-carbonitrileMol. Formula:
C19H13BrN2OM.W.:
365.23Type:
Small moleculeAlogP:
4.27Polar Surface Area:
56.65HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
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