Type:
---AlogP:
3.84Polar Surface Area:
83.38HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA4876409Name:
2-methyl-1-(2-(3-methyl-4-nitrobenzyloxy)ethyl)-5-nitro-1H-imidazoleMol. Formula:
C14H16N4O5M.W.:
320.31Type:
UnknownAlogP:
2.53Polar Surface Area:
113.33HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA4876278Name:
1-(2-(4-bromobenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C13H14BrN3O3M.W.:
340.18Type:
UnknownAlogP:
3.08Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA4875625Name:
1-(2-(2-bromobenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C13H14BrN3O3M.W.:
340.18Type:
UnknownAlogP:
3.08Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA4871075Name:
1-(2-(2-bromo-4-fluorobenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C13H13BrFN3O3M.W.:
358.17Type:
UnknownAlogP:
3.22Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS- ALA4869717
Name:
1-(2-(2-chlorobenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C13H14ClN3O3M.W.:
295.73Type:
UnknownAlogP:
2.97Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4868815
Name:
1-(2-(3-methoxybenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C14H17N3O4M.W.:
291.31Type:
UnknownAlogP:
2.33Polar Surface Area:
79.42HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4867711
Name:
4-((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy)methyl)benzonitrileMol. Formula:
C14H14N4O3M.W.:
286.29Type:
UnknownAlogP:
2.19Polar Surface Area:
93.98HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4866987
Name:
1-(2-(3-chlorobenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C13H14ClN3O3M.W.:
295.73Type:
UnknownAlogP:
2.97Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4866437
Name:
4-((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy)methyl)pyridineMol. Formula:
C12H14N4O3M.W.:
262.27Type:
UnknownAlogP:
1.71Polar Surface Area:
83.08HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4866166
Name:
1-(2-((1H-pyrrol-2-yl)methoxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C11H14N4O3M.W.:
250.26Type:
UnknownAlogP:
1.64Polar Surface Area:
85.98HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4865236
Name:
1-(2-(4-fluorobenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C13H14FN3O3M.W.:
279.27Type:
UnknownAlogP:
2.46Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4864128
Name:
2-methyl-1-(2-(naphthalen-2-ylmethoxy)ethyl)-5-nitro-1H-imidazoleMol. Formula:
C17H17N3O3M.W.:
311.34Type:
UnknownAlogP:
3.47Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4861741
Name:
2-methyl-1-(2-(3-methylbenzyloxy)ethyl)-5-nitro-1H-imidazoleMol. Formula:
C14H17N3O3M.W.:
275.31Type:
UnknownAlogP:
2.62Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4860734
Name:
1-(2-(4-chlorobenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C13H14ClN3O3M.W.:
295.73Type:
UnknownAlogP:
2.97Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4859800
Name:
2-methyl-5-nitro-1-(2-(3-nitrobenzyloxy)ethyl)-1H-imidazoleMol. Formula:
C13H14N4O5M.W.:
306.28Type:
UnknownAlogP:
2.22Polar Surface Area:
113.33HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4859605
Name:
2-methyl-1-(2-(2-methylbenzyloxy)ethyl)-5-nitro-1H-imidazoleMol. Formula:
C14H17N3O3M.W.:
275.31Type:
UnknownAlogP:
2.62Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4854163
Name:
2-methyl-1-(2-(4-methylbenzyloxy)ethyl)-5-nitro-1H-imidazoleMol. Formula:
C14H17N3O3M.W.:
275.31Type:
UnknownAlogP:
2.62Polar Surface Area:
70.19HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4851123
Name:
1-(2-(4-methoxybenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C14H17N3O4M.W.:
291.31Type:
UnknownAlogP:
2.33Polar Surface Area:
79.42HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4846195
Name:
1-(2-(3,5-dimethoxybenzyloxy)ethyl)-2-methyl-5-nitro-1H-imidazoleMol. Formula:
C15H19N3O5M.W.:
321.33Type:
UnknownAlogP:
2.33Polar Surface Area:
88.65HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS
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