- ALA4589361
Name:
N-(2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-5-methylbenzyl)acetamideMol. Formula:
C14H18N4OM.W.:
258.32Type:
UnknownAlogP:
1.83Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4587486
Name:
1-methyl-4H,6H-benzo[e][1,2,4]triazolo[3,4-c][1,4]oxazepineMol. Formula:
C11H11N3OM.W.:
201.23Type:
UnknownAlogP:
1.61Polar Surface Area:
39.94HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4576037
Name:
N-(2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamideMol. Formula:
C13H16N4OM.W.:
244.30Type:
UnknownAlogP:
1.52Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA4542222
Name:
N-(5-bromo-2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamideMol. Formula:
C13H15BrN4OM.W.:
323.19Type:
UnknownAlogP:
2.28Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA4539467
Name:
1-(2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)-3-methylureaMol. Formula:
C13H17N5OM.W.:
259.31Type:
UnknownAlogP:
1.31Polar Surface Area:
71.84HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA4538578
Name:
(S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamideMol. Formula:
C14H20N2OM.W.:
232.33Type:
UnknownAlogP:
1.62Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.77DETAILS - ALA4469558
Name:
2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzoic acidMol. Formula:
C11H11N3O2M.W.:
217.23Type:
UnknownAlogP:
1.58Polar Surface Area:
68.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4461772
Name:
N-(5-cyclopropyl-2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamideMol. Formula:
C16H20N4OM.W.:
284.36Type:
UnknownAlogP:
2.40Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA4455427
Name:
N-(5-chloro-2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamideMol. Formula:
C13H15ClN4OM.W.:
278.74Type:
UnknownAlogP:
2.17Polar Surface Area:
59.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA4453131
Name:
N-(2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)methanesulfonamideMol. Formula:
C12H16N4O2SM.W.:
280.35Type:
UnknownAlogP:
0.93Polar Surface Area:
76.88HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4451286
Name:
N-(5-cyano-2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamideMol. Formula:
C14H15N5OM.W.:
269.31Type:
UnknownAlogP:
1.39Polar Surface Area:
83.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA3397332
Name:
Show More⌵Mol. Formula:
C24H29N9O4SM.W.:
539.62/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small moleculeAlogP:
0.18Polar Surface Area:
203.11HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.15DETAILS