ALA5277432Name:
methyl (2-((7-chloroquinolin-4-yl)thio)acetyl)-L-tryptophanateMol. Formula:
C23H20ClN3O3SM.W.:
453.95Type:
---AlogP:
4.36Polar Surface Area:
84.08HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
---AlogP:
4.82Polar Surface Area:
66.88HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS
ALA5286778Name:
methyl (2-((7-chloroquinolin-4-yl)thio)acetyl)-L-valinateMol. Formula:
C17H19ClN2O3SM.W.:
366.87Type:
---AlogP:
3.29Polar Surface Area:
68.29HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
UnknownAlogP:
5.21Polar Surface Area:
100.92HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
UnknownAlogP:
4.48Polar Surface Area:
128.61HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS-
Type:
UnknownAlogP:
5.07Polar Surface Area:
100.92HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4794786
Name:
N-(4-bromophenyl)-2-(5-nitrofuran-2-yl)-1H-benzo[d]imidazole-5-carboxamideMol. Formula:
C18H11BrN4O4M.W.:
427.21Type:
UnknownAlogP:
4.75Polar Surface Area:
114.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4793469
Name:
2-(5-nitrofuran-2-yl)-N-o-tolyl-1H-benzo[d]imidazole-5-carboxamideMol. Formula:
C19H14N4O4M.W.:
362.35Type:
UnknownAlogP:
4.29Polar Surface Area:
114.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
5.47Polar Surface Area:
100.92HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4791008
Name:
2-(5-nitrothiophen-2-yl)-N-o-tolyl-1H-benzo[d]imidazole-5-carboxamideMol. Formula:
C19H14N4O3SM.W.:
378.41Type:
UnknownAlogP:
4.76Polar Surface Area:
100.92HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
5.07Polar Surface Area:
100.92HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
5.00Polar Surface Area:
114.06HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
4.47Polar Surface Area:
119.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
UnknownAlogP:
4.46Polar Surface Area:
110.15HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
UnknownAlogP:
4.65Polar Surface Area:
123.29HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
3.99Polar Surface Area:
123.29HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
4.60Polar Surface Area:
114.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
4.60Polar Surface Area:
114.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
5.07Polar Surface Area:
100.92HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4760656
Name:
N-(4-chlorophenyl)-2-(5-nitrofuran-2-yl)-1H-benzo[d]imidazole-5-carboxamideMol. Formula:
C18H11ClN4O4M.W.:
382.76Type:
UnknownAlogP:
4.64Polar Surface Area:
114.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS
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