LigandBoxID:D00824

NAME:Fluvoxamine maleate;Luvox
SMILES: NCCON=C(c1ccc(C(F)(F)F)cc1)CCCCOC

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00824

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H22N2O2F3 319.347 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.2549 -12.6734
LOGS LOGP    
-4.0055 1.4386    

Links to the same SMILES compounds

LIGANDBOX C07571 D07984 PDB_FVX
CHEMBL CHEMBL1314286 CHEMBL1409 CHEMBL1445476 CHEMBL1621884 CHEMBL814
ZINC ZINC03872605 ZINC12466082
PUBCHEM 11237102 11962178 16682327 21958071 24848756
3404 43725 45479748 5281089 5324345 5324346
5361192 5384136 5479052 9552076 9560989


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