LigandBoxID:D02621

SMILES: COc3ccccc3N1CCN(CC1)CCCC(c2ccc(cc2)F)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D02621

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H26N2O2F 357.449 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -3.7366 -11.6442
LOGS LOGP    
-3.4440 3.4099    

Links to the same SMILES compounds

LIGANDBOX HTS1306-01335639
CHEMBL CHEMBL58792
ZINC ZINC04213325 ZINC04213325
PUBCHEM 15139 171220 28346 40479661 450928
56842130


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