LigandBoxID:D02766

NAME:Valpromide;Depamide
SMILES: CCCC(C(=O)N)CCC

2D 3D


SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D02766

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H17NO 143.230 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 1.5950 -10.4510
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
$$$$ - 0.7763

Links to the same SMILES compounds

LIGANDBOX 02039489 PDB_VPR
CHEMBL CHEMBL93836
ZINC ZINC00002238
PUBCHEM 50924538 71113

PDB compound with the same structure: VPR(PDBeChem Chem.Comp)

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