LigandBoxID:D01293

NAME:Ethyl loflazepate;Meilax
SMILES: CCOC(C2N=C(c3cc(ccc3NC2=O)[Cl])c1ccccc1F)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01293

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H14N2O3FCl 360.772 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -0.8037 -9.6057
LOGS LOGP    
-5.2632 3.2192    

Links to the same SMILES compounds

CHEMBL CHEMBL1213460
PUBCHEM 25273597 3299 38988386


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