LigandBoxID:D02088

NAME:Tocainide hydrochloride;Tonocard
SMILES: CC(C(Nc1c(cccc1C)C)=O)N

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02088

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C11H17N2O 193.270 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -4.5184 -12.3484
LOGS LOGP    
-3.0870 2.7602    

Links to the same SMILES compounds

LIGANDBOX C07142 D06172 HTS1610-00584985 HTS1610-00584986
CHEMBL CHEMBL1200773 CHEMBL1762 CHEMBL222944 CHEMBL387108
ZINC ZINC00000786 ZINC00002283
PUBCHEM 108173 22213363 25271736 25271842 3080824
3080825 3080826 3080827 38945 51371154


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