LigandBoxID:D07929

NAME:Ethylmorphine
SMILES: CCOc1ccc2CC3N(CCC54C3C=CC(C4Oc1c52)O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07929

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H24NO3 314.405 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 6 -3.8930 -11.7038
LOGS LOGP    
-3.0480 2.9981    

Links to the same SMILES compounds

LIGANDBOX C07537 D02205
CHEMBL CHEMBL1202482 CHEMBL1712170 CHEMBL25918
ZINC ZINC00001391 ZINC03629718
PUBCHEM 10425733 15559038 20056541 20056542 21713319
23305224 23724836 24840156 25115417 25115418 25234594
3303 40462130 44719306 517288 5359271 5360215
5360692 5493036 56841281 5748422 6440276


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