LigandBoxID:D08215

NAME:Mexiletine
SMILES: CC(COc1c(cccc1C)C)N

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D08215

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C11H18NO 180.271 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -4.0562 -12.4282
LOGS LOGP    
-2.2578 2.9899    

Links to the same SMILES compounds

LIGANDBOX C07220 D00639 HTS1610-00115614 HTS1610-00115615 HTS1610-00115616
HTS1610-00115617 HTS1610-00163028 HTS1610-00163029 KSH2016-02654996 KSH2016-03961297 PDB_505
CHEMBL CHEMBL1200606 CHEMBL146855 CHEMBL147507 CHEMBL558
ZINC ZINC00020257 ZINC00057062
PUBCHEM 11009339 11074793 180621 185376 20148681
21467 22215440 4178 44724350 45114163 57149588
57149589 6919174 6921669


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