LigandBoxID:D02178

NAME:Grepafloxacin hydrochloride;GPFX;Raxar
SMILES: CC2NCCN(c3cc4n(C1CC1)cc(c(c4c(c3F)C)=O)C(=O)O)C2

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02178

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H22N3O3F 359.401 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -2.5953 -6.2705
LOGS LOGP    
-3.4580 1.3644    

Links to the same SMILES compounds

LIGANDBOX C11368
CHEMBL CHEMBL1200393 CHEMBL583
ZINC ZINC00587541 ZINC00967787
PUBCHEM 11681977 25273556 29010872 51035552 656829
72474 9863636


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