Type:
Small moleculeAlogP:
3.47Polar Surface Area:
65.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.57DETAILS
ALA4294180Name:
7-(6-(4-methyl-1H-imidazol-1-yl)hexyloxy)-2H-chromen-2-oneMol. Formula:
C19H22N2O3M.W.:
326.40Type:
Small moleculeAlogP:
3.94Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
4.13Polar Surface Area:
39.44HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
5.22Polar Surface Area:
39.44HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
Small moleculeAlogP:
4.91Polar Surface Area:
39.44HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.37DETAILS- ALA4292988
Name:
7-(4-(2-methyl-1H-imidazol-1-yl)butoxy)-2H-chromen-2-oneMol. Formula:
C17H18N2O3M.W.:
298.34Type:
Small moleculeAlogP:
3.16Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4292699
Name:
7-(8-(2-phenyl-1H-imidazol-1-yl)octyloxy)-2H-chromen-2-oneMol. Formula:
C26H28N2O3M.W.:
416.52Type:
Small moleculeAlogP:
6.08Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA4291929
Name:
7-(8-(1H-imidazol-1-yl)octyloxy)-2H-chromen-2-oneMol. Formula:
C20H24N2O3M.W.:
340.42Type:
Small moleculeAlogP:
4.41Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4291530
Name:
7-(8-(2-methyl-1H-imidazol-1-yl)octyloxy)-2H-chromen-2-oneMol. Formula:
C21H26N2O3M.W.:
354.45Type:
Small moleculeAlogP:
4.72Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA4290908
Name:
7-(8-(piperazin-1-yl)octyloxy)-2H-chromen-2-oneMol. Formula:
C21H30N2O3M.W.:
358.48Type:
Small moleculeAlogP:
3.42Polar Surface Area:
54.71HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4290781
Name:
7-(10-(4-methyl-1H-imidazol-1-yl)decyloxy)-2H-chromen-2-oneMol. Formula:
C23H30N2O3M.W.:
382.50Type:
Small moleculeAlogP:
5.50Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4290494
Name:
7-(4-(1H-benzo[d]imidazol-1-yl)butoxy)-2H-chromen-2-oneMol. Formula:
C20H18N2O3M.W.:
334.38Type:
Small moleculeAlogP:
4.00Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA4289926
Name:
7-(8-(1H-1,2,4-triazol-1-yl)octyloxy)-4-methyl-2H-chromen-2-oneMol. Formula:
C20H25N3O3M.W.:
355.44Type:
Small moleculeAlogP:
4.11Polar Surface Area:
70.15HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4289607
Name:
7-(10-(1H-imidazol-1-yl)decyloxy)-2H-chromen-2-oneMol. Formula:
C22H28N2O3M.W.:
368.48Type:
Small moleculeAlogP:
5.19Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4288508
Name:
7-(4-(1H-imidazol-1-yl)butoxy)-2H-chromen-2-oneMol. Formula:
C16H16N2O3M.W.:
284.31Type:
Small moleculeAlogP:
2.85Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
42.68HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4287366
Name:
7-(4-(2-phenyl-1H-imidazol-1-yl)butoxy)-2H-chromen-2-oneMol. Formula:
C22H20N2O3M.W.:
360.41Type:
Small moleculeAlogP:
4.52Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4287080
Name:
7-(8-(1H-benzo[d]imidazol-1-yl)octyloxy)-2H-chromen-2-oneMol. Formula:
C24H26N2O3M.W.:
390.48Type:
Small moleculeAlogP:
5.56Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA4286951
Name:
7-(4-(4-methyl-1H-imidazol-1-yl)butoxy)-2H-chromen-2-oneMol. Formula:
C17H18N2O3M.W.:
298.34Type:
Small moleculeAlogP:
3.16Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4286498
Name:
4-methyl-7-(8-(4-methyl-1H-imidazol-1-yl)octyloxy)-2H-chromen-2-oneMol. Formula:
C22H28N2O3M.W.:
368.48Type:
Small moleculeAlogP:
5.03Polar Surface Area:
57.26HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.37DETAILS
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