LigandBoxID:D07298

NAME:Barbexaclone;Maliasin
SMILES: CCC2(c1ccccc1)C(NC(NC2=O)=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07298

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H12N2O3 232.239 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.4564 -10.3564
LOGS LOGP    
-7.5263 3.6559    

Links to the same SMILES compounds

LIGANDBOX C07434 D00506 D08356
CHEMBL CHEMBL40 CHEMBL545356
ZINC ZINC03137566
PUBCHEM 10489854 12249714 12598276 16217597 165668
171512 19975184 20393517 20558277 20975860 21151924
21847332 23616130 23693550 3048502 3080648 44144882
44632800 44633599 45101476 451212 451215 45262838
46174100 4763 54721229 54731273 71196 83803
9977518


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