ALA2059068Name:
2-((1-methyl-1H-benzo[d]imidazol-2-yl)methoxy)benzoic acidMol. Formula:
C16H14N2O3M.W.:
282.30Type:
Small moleculeAlogP:
2.85Polar Surface Area:
64.35HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
87.04HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
3.65Polar Surface Area:
58.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA382593Name:
6-(2-(dimethylamino)ethylamino)-2-ethylbenzo[d]oxazole-4,7-dioneMol. Formula:
C13H17N3O3M.W.:
263.30Type:
Small moleculeAlogP:
0.65Polar Surface Area:
75.44HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA201497Name:
5-(2-(dimethylamino)ethylamino)-2-phenyl-2H-indazole-4,7-dioneMol. Formula:
C17H18N4O2M.W.:
310.36Type:
Small moleculeAlogP:
1.97Polar Surface Area:
70.72HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS- ALA200805
Name:
6-(2-(dimethylamino)ethylamino)-2-phenylbenzo[d]oxazole-4,7-dioneMol. Formula:
C17H17N3O3M.W.:
311.34Type:
Small moleculeAlogP:
2.44Polar Surface Area:
78.93HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA380820
Name:
6-(2-(dimethylamino)ethylamino)-2-phenyl-2H-indazole-4,7-dioneMol. Formula:
C17H18N4O2M.W.:
310.36Type:
Small moleculeAlogP:
1.97Polar Surface Area:
70.72HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA200800
Name:
5-(2-(dimethylamino)ethylamino)-2-phenyl-1H-benzo[d]imidazole-4,7-dioneMol. Formula:
C17H18N4O2M.W.:
310.36Type:
Small moleculeAlogP:
2.17Polar Surface Area:
81.58HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA200331
Name:
5-(2-(dimethylamino)ethylamino)-2-methyl-2H-isoindole-4,7-dioneMol. Formula:
C13H17N3O2M.W.:
247.30Type:
Small moleculeAlogP:
1.12Polar Surface Area:
57.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA437898
Name:
5-(2-(dimethylamino)ethylamino)-2-ethyl-1H-benzo[d]imidazole-4,7-dioneMol. Formula:
C13H18N4O2M.W.:
262.31Type:
Small moleculeAlogP:
1.07Polar Surface Area:
81.58HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA199360
Name:
5-(2-(dimethylamino)ethylamino)-2-phenylbenzo[d]oxazole-4,7-dioneMol. Formula:
C17H17N3O3M.W.:
311.34Type:
Small moleculeAlogP:
2.44Polar Surface Area:
78.93HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA199359
Name:
5-(2-(dimethylamino)ethylamino)-2-ethylbenzo[d]oxazole-4,7-dioneMol. Formula:
C13H17N3O3M.W.:
263.30Type:
Small moleculeAlogP:
1.33Polar Surface Area:
78.93HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA373195
Name:
5-(2-(dimethylamino)ethylamino)-2-methylbenzo[d]thiazole-4,7-dioneMol. Formula:
C12H15N3O2SM.W.:
265.34Type:
Small moleculeAlogP:
1.55Polar Surface Area:
65.79HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA185838
Name:
(2,3-Dimethoxy-benzyl)-methyl-[2-(4-nitro-phenyl)-ethyl]-amineMol. Formula:
C18H22N2O4M.W.:
330.38Type:
Small moleculeAlogP:
3.29Polar Surface Area:
64.84HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA363263
Name:
2-({Methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-methyl)-4-nitro-phenolMol. Formula:
C16H17N3O5M.W.:
331.33Type:
Small moleculeAlogP:
2.88Polar Surface Area:
109.75HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
3.34Polar Surface Area:
49.62HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.27Polar Surface Area:
46.38HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA186560
Name:
2-Methoxy-6-({methyl-[2-(4-nitro-phenyl)-ethyl]-amino}-methyl)-phenolMol. Formula:
C17H20N2O4M.W.:
316.36Type:
Small moleculeAlogP:
2.98Polar Surface Area:
75.84HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA186644
Name:
4-Dimethylamino-2-methoxy-6-{[2-(4-nitro-phenyl)-ethylamino]-methyl}-phenolMol. Formula:
C18H23N3O4M.W.:
345.40Type:
Small moleculeAlogP:
2.71Polar Surface Area:
87.87HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA186631
Name:
4-Dimethylamino-2-{[2-(4-nitro-phenyl)-ethylamino]-methyl}-phenolMol. Formula:
C17H21N3O3M.W.:
315.37Type:
Small moleculeAlogP:
2.70Polar Surface Area:
78.64HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS
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