ALA4218874Name:
1-benzyl-5,7-dimethoxy-2-(4-methoxyphenyl)quinolin-4(1H)-oneMol. Formula:
C25H23NO4M.W.:
401.46Type:
Small moleculeAlogP:
4.74Polar Surface Area:
49.69HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
2.24Polar Surface Area:
101.17HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS
ALA4218283Name:
methyl 5,7-dimethoxy-4-oxo-1-tosyl-1,4-dihydroquinoline-2-carboxylateMol. Formula:
C20H19NO7SM.W.:
417.44Type:
Small moleculeAlogP:
2.35Polar Surface Area:
100.90HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
100.29HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
92.89HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS-
Type:
Small moleculeAlogP:
2.73Polar Surface Area:
118.75HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
93.06HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
83.83HBA:
7HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
126.97HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
3.45Polar Surface Area:
100.29HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
3.80Polar Surface Area:
107.62HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.92Polar Surface Area:
93.31HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
89.65HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.85Polar Surface Area:
80.42HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
3.98Polar Surface Area:
100.29HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA4214451
Name:
2-(benzo[d][1,3]dioxol-5-yl)-5,7-dimethoxyquinolin-4(1H)-oneMol. Formula:
C18H15NO5M.W.:
325.32Type:
Small moleculeAlogP:
2.94Polar Surface Area:
69.78HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.63Polar Surface Area:
114.56HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.84Polar Surface Area:
126.97HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4213949
Name:
5,7-dimethoxy-2-(4-methoxyphenyl)-1-methylquinolin-4(1H)-oneMol. Formula:
C19H19NO4M.W.:
325.36Type:
Small moleculeAlogP:
3.23Polar Surface Area:
49.69HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
4.12Polar Surface Area:
100.29HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS
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