LigandBoxID:D03979

NAME:Elucaine
SMILES: CCN(CC(c2ccccc2)OC(c1ccccc1)=O)CC

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03979

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H24NO2 298.406 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 1 -4.0127 -12.4144
LOGS LOGP    
-4.0029 4.8651    

Links to the same SMILES compounds

PUBCHEM 24835627 32330 32331


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