LigandBoxID:D04282

NAME:Gaboxadol
SMILES: C1NCC=2ONC(C=2C1)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04282

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C6H9N2O2 141.150 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -4.8776 -13.5660
LOGS LOGP    
-0.3269 -0.4271    

Links to the same SMILES compounds

LIGANDBOX C13693
CHEMBL CHEMBL312443
PUBCHEM 11389533 11651776 11852410 11852411 11949676
15940556 15940697 15940698 15940703 15940704 15940705
198486 3448 36688436 46864200 5702253


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