LigandBoxID:D02766

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 1.6190 -10.4555
LOGS LOGP    
-2.0308 1.6255    

Links to the same SMILES compounds

LIGANDBOX HTS1306-02035307 PDB_VPR
CHEMBL CHEMBL93836
ZINC ZINC00002238
PUBCHEM 50924538 71113


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