LigandBoxID:D03759

NAME:Diacetolol hydrochloride
SMILES: CC(NCC(COc1ccc(cc1C(=O)C)NC(=O)C)O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03759

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H25N2O4 309.386 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -3.9914 -11.9737
LOGS LOGP    
-2.7394 1.6151    

Links to the same SMILES compounds

ZINC ZINC00000211 ZINC01573408
PUBCHEM 159167 50893 50894


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