LigandBoxID:D04300

NAME:Ganaxolone
SMILES: CC(C1CCC4C3CCC2CC(CCC2(C3CCC41C)C)(O)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04300

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H36O2 332.528 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 8 0.7580 -10.3916
LOGS LOGP    
-4.5725 4.6836    

Links to the same SMILES compounds

CHEMBL CHEMBL1519524 CHEMBL1568698 CHEMBL159473
ZINC ZINC03824281 ZINC05438490 ZINC05438499 ZINC15449316 ZINC15449318
ZINC15449319 ZINC15449321 ZINC35636041 ZINC35636043
PUBCHEM 11537287 17757217 18653146 18653237 22023730
25242260 38022 44376040 57288478 58649024 6918305


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