Type:
UnknownAlogP:
3.39Polar Surface Area:
59.40HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
UnknownAlogP:
5.55Polar Surface Area:
46.51HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
UnknownAlogP:
5.44Polar Surface Area:
37.39HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
UnknownAlogP:
3.41Polar Surface Area:
86.97HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
UnknownAlogP:
2.50Polar Surface Area:
111.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS-
Type:
UnknownAlogP:
3.70Polar Surface Area:
66.74HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS - 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 -
Type:
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 -
Type:
Small moleculeAlogP:
2.07Polar Surface Area:
67.43HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA5094425
Name:
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 - ALA5088180
Name:
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 - ALA5086653
Name:
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 - ALA5082332
Name:
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 - ALA5078407
Name:
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 -
Type:
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 - ALA4226437
Name:
4-(Phenyl-1H-imidazol-2-yl)benzamidine acetateMol. Formula:
C18H18N4O2M.W.:
322.37Type:
Small moleculeAlogP:
3.03Polar Surface Area:
78.55HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS
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