LigandBoxID:D04973

NAME:Methadyl acetate;Acetylmethadol
SMILES: CCC(C(c1ccccc1)(c2ccccc2)CC(N(C)C)C)OC(=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04973

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H32NO2 354.514 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 2 -3.7592 -12.6147
LOGS LOGP    
-4.9636 5.8530    

Links to the same SMILES compounds

CHEMBL CHEMBL1200817 CHEMBL1514 CHEMBL170179
ZINC ZINC01530967
PUBCHEM 10517 15130 201444 201445 21576696
22308 3041257 3046015 38100 38988317 38988318
38988319 39371 53313521 5360115 5745572 58356910
62710 9930297


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