Type:
---AlogP:
4.78Polar Surface Area:
87.90HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
2.61Polar Surface Area:
74.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS
ALA4105174Name:
2-(3-(Isoquinolin-6-yl)ureido)-N-methylacetamideMol. Formula:
C13H14N4O2M.W.:
258.28Type:
Small moleculeAlogP:
1.10Polar Surface Area:
83.12HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA4104833Name:
1-(2-(Cyclohex-1-en-1-yl)ethyl)-3-(isoquinolin-6-yl)ureaMol. Formula:
C18H21N3OM.W.:
295.39Type:
Small moleculeAlogP:
4.25Polar Surface Area:
54.02HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS
ALA4101037Name:
1-(2-(1-(Aminomethyl)cyclohexyl)ethyl)-3-(isoquinolin-6-yl)ureaMol. Formula:
C19H26N4OM.W.:
326.44Type:
Small moleculeAlogP:
3.66Polar Surface Area:
80.04HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS- ALA4100373
Name:
2-(3-(Isoquinolin-6-yl)ureido)-N-methoxy-N-methylacetamideMol. Formula:
C14H16N4O3M.W.:
288.31Type:
Small moleculeAlogP:
1.38Polar Surface Area:
83.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
4.33Polar Surface Area:
54.02HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA4097428
Name:
1-(2-(Azetidin-1-yl)-2-oxoethyl)-3-(isoquinolin-6-yl)ureaMol. Formula:
C15H16N4O2M.W.:
284.32Type:
Small moleculeAlogP:
1.59Polar Surface Area:
74.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4097411
Name:
Methyl(isoquinolin-6-ylcarbamoyl)glycyl-L-prolinateMol. Formula:
C18H20N4O4M.W.:
356.38Type:
Small moleculeAlogP:
1.52Polar Surface Area:
100.63HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4095787
Name:
1-(7-Methylisoquinolin-6-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-ureaMol. Formula:
C17H20N4O2M.W.:
312.37Type:
Small moleculeAlogP:
2.29Polar Surface Area:
74.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - XY1
Name:
1-(Naphthalen-2-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)ureaMol. Formula:
C17H19N3O2M.W.:
297.36Type:
Small moleculeAlogP:
2.58Polar Surface Area:
61.44HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4090733
Name:
2-(3-(Isoquinolin-6-yl)ureido)-N,N-dimethylacetamideMol. Formula:
C14H16N4O2M.W.:
272.31Type:
Small moleculeAlogP:
1.44Polar Surface Area:
74.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4088513
Name:
3-(isoquinolin-6-yl)-1-methyl-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)ureaMol. Formula:
C17H20N4O2M.W.:
312.37Type:
Small moleculeAlogP:
2.32Polar Surface Area:
65.54HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.95DETAILS - ALA4087094
Name:
1-(Isoquinolin-6-yl)-3-(2-oxo-2-(piperidin-1-yl)ethyl)ureaMol. Formula:
C17H20N4O2M.W.:
312.37Type:
Small moleculeAlogP:
2.37Polar Surface Area:
74.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4086964
Name:
1-(2-(4,4-Difluoropiperidin-1-yl)-2-oxoethyl)-3-(isoquinolin-6-yl)-ureaMol. Formula:
C17H18F2N4O2M.W.:
348.35Type:
Small moleculeAlogP:
2.61Polar Surface Area:
74.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4086830
Name:
1-(2-(Isoindolin-2-yl)-2-oxoethyl)-3-(isoquinolin-6-yl)ureaMol. Formula:
C20H18N4O2M.W.:
346.39Type:
Small moleculeAlogP:
2.90Polar Surface Area:
74.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4084879
Name:
N-Cyclohexyl-2-(3-(isoquinolin-6-yl)ureido)acetamideMol. Formula:
C18H22N4O2M.W.:
326.40Type:
Small moleculeAlogP:
2.81Polar Surface Area:
83.12HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4082966
Name:
1-(2-(7-Azabicyclo[2.2.1]heptan-7-yl)-2-oxoethyl)-3-(isoquinolin-6-yl)ureaMol. Formula:
C18H20N4O2M.W.:
324.38Type:
Small moleculeAlogP:
2.51Polar Surface Area:
74.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4082359
Name:
N-Cyclopentyl-2-(3-(isoquinolin-6-yl)ureido)-N-methylacetamideMol. Formula:
C18H22N4O2M.W.:
326.40Type:
Small moleculeAlogP:
2.76Polar Surface Area:
74.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS
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