LigandBoxID:D07938

NAME:Bupropion hydrobromide
SMILES: CC(C(c1cccc(c1)[Cl])=O)NC(C)(C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07938

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C13H19NOCl 240.754 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -4.2122 -12.8911
LOGS LOGP    
-4.3602 4.1904    

Links to the same SMILES compounds

LIGANDBOX C06860 D00817 D07591 HTS1610-00128196 HTS1610-00128197
KSH2016-03965602 KSH2016-03965639
CHEMBL CHEMBL1201735 CHEMBL1698 CHEMBL249669 CHEMBL251643 CHEMBL894
ZINC ZINC00020228 ZINC00057206
PUBCHEM 11184958 11269629 11758471 11984562 15940570
24213882 24849133 25207768 25235278 25235279 25235281
25235282 25235328 44199753 44199754 44199755 44199756
44199757 44199871 44199872 44319775 444 45038477
45257192 45280630 45280631 45280632 45280682 45280683
45280684 45280685 45280686 49831460 49849371 49849372
51001984 62884 657316 667684 688387 6919162
6921717 9890053 9930668 9936082 9953177


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