ALA5094425Name:
6-fluoro-3-(4-fluorophenyl)-2H-isoquinolin-1-oneMol. Formula:
C15H9F2NOM.W.:
257.24Type:
UnknownAlogP:
3.47Polar Surface Area:
32.86HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA5088180Name:
3-(4-fluorophenyl)-7-methoxy-2H-isoquinolin-1-oneMol. Formula:
C16H12FNO2M.W.:
269.27Type:
UnknownAlogP:
3.34Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA5086653Name:
7-methoxy-3-(3-methoxyphenyl)-2H-isoquinolin-1-oneMol. Formula:
C17H15NO3M.W.:
281.31Type:
UnknownAlogP:
3.21Polar Surface Area:
51.32HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA5082332Name:
6-fluoro-3-(2-methoxyphenyl)-2H-isoquinolin-1-oneMol. Formula:
C16H12FNO2M.W.:
269.27Type:
UnknownAlogP:
3.34Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA5078407Name:
6-fluoro-3-(4-methoxyphenyl)-2H-isoquinolin-1-oneMol. Formula:
C16H12FNO2M.W.:
269.27Type:
UnknownAlogP:
3.34Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS- ALA5074597
Name:
7-methoxy-3-(4-methoxyphenyl)-2H-isoquinolin-1-oneMol. Formula:
C17H15NO3M.W.:
281.31Type:
UnknownAlogP:
3.21Polar Surface Area:
51.32HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4558936
Name:
N1-ethyl-N4-(7-methoxy-2-phenylquinolin-4-yl)-N1-methylpentane-1,4-diamineMol. Formula:
C24H31N3OM.W.:
377.53Type:
UnknownAlogP:
5.44Polar Surface Area:
37.39HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4558270
Name:
5-((2-(6-Methoxy-2-methylquinolin-4-yl)hydrazono)methyl)benzene-1,3-diolMol. Formula:
C18H17N3O3M.W.:
323.35Type:
UnknownAlogP:
3.41Polar Surface Area:
86.97HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4538465
Name:
6-methoxy-2-phenyl-4-(2-(2-phenylethylidene)hydrazinyl)quinolineMol. Formula:
C24H21N3OM.W.:
367.45Type:
UnknownAlogP:
5.55Polar Surface Area:
46.51HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4514167
Name:
6-Methoxy-2-methyl-4-(2-(pyridin-3-ylmethylene)hydrazinyl)quinolineMol. Formula:
C17H16N4OM.W.:
292.34Type:
UnknownAlogP:
3.39Polar Surface Area:
59.40HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4467366
Name:
3'-((2-(6-methoxy-2-methylquinolin-4-yl)hydrazono)methyl)phenolMol. Formula:
C18H17N3O2M.W.:
307.35Type:
UnknownAlogP:
3.70Polar Surface Area:
66.74HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA4463549
Name:
N-(2-aminoethyl)-6-nitro-2-phenylquinoline-8-carboxamideMol. Formula:
C18H16N4O3M.W.:
336.35Type:
UnknownAlogP:
2.50Polar Surface Area:
111.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4443539
Name:
N-(2-aminoethyl)-2-(biphenyl-4-yl)quinoline-5-carboxamideMol. Formula:
C24H21N3OM.W.:
367.45Type:
UnknownAlogP:
4.26Polar Surface Area:
68.01HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
4.57Polar Surface Area:
42.24HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
5.04Polar Surface Area:
29.10HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.03Polar Surface Area:
78.55HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.37Polar Surface Area:
49.87HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4091831
Name:
N-(2-(5-bromo-2-oxoindolin-3-yl)ethyl)acetamideMol. Formula:
C12H13BrN2O2M.W.:
297.15Type:
Small moleculeAlogP:
2.01Polar Surface Area:
58.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.90DETAILS - ALA4088981
Name:
N-(2-(1,6,7-trimethyl-1H-indol-3-yl)ethyl)acetamideMol. Formula:
C15H20N2OM.W.:
244.34Type:
Small moleculeAlogP:
2.47Polar Surface Area:
34.03HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
1.07Polar Surface Area:
58.64HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.90DETAILS
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