LigandBoxID:D00735

SMILES: CCCCOc2ccc(C(CCN1CCCCC1)=O)cc2

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00735

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H28NO2 290.427 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -3.9096 -11.7526
LOGS LOGP    
-4.0239 3.8353    

Links to the same SMILES compounds

LIGANDBOX C07881 D07881 HTS1306-00105445
CHEMBL CHEMBL1200478 CHEMBL1201217
ZINC ZINC01530940
PUBCHEM 1549002 17770532 24183034 25141451 3180
44657536 657369 68304 9869846


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