LigandBoxID:D03929

NAME:Ecadotril
SMILES: CC(SCC(C(NCC(OCc1ccccc1)=O)=O)Cc2ccccc2)=O

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D03929

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H23NO4S 385.483 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -0.2940 -9.2460
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.512918997E+01 0.658712208E+00 - 1.5478

Links to the same SMILES compounds

LIGANDBOX D08464
CHEMBL CHEMBL1516410
ZINC ZINC01546843 ZINC01546844
PUBCHEM 107751 11216080 3086546 60561 9875218

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