LigandBoxID:D02219

NAME:Terbinafine hydrochloride;Lamisil
SMILES: CN(Cc2cccc1ccccc21)CC=CC#CC(C)(C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02219

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H26N 292.446 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -4.1017 -11.8637
LOGS LOGP    
-6.2377 6.5542    

Links to the same SMILES compounds

LIGANDBOX C08079 D02375 HTS1610-00123532 HTS1610-00123533 HTS1610-00123534
HTS1610-00123535 KSH2016-00015178 KSH2016-00060535
CHEMBL CHEMBL1200832 CHEMBL822
ZINC ZINC01530981 ZINC04467397
PUBCHEM 11273098 11319502 11324905 11387765 11478552
11570847 13539660 1549006 1549007 1549008 17952440
17953474 24748161 24816440 24825764 25027164 25207814
42602567 42602568 45102804 45114145 46782995 4921983
50986900 5282481 52915002 5402 59759496 59759497
59759499 59759502 59759504 59759505 59759506 59759509
59759510 59759511 59759512 59759513 59759514 64146
6475776 6476797 9954160


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