LigandBoxID:D00590

NAME:Sparfloxacin;SPFX;Zagam
SMILES: CC1NC(CN(c3c(c(c4c(c(cn(c4c3F)C2CC2)C(=O)O)=O)N)F)C1)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00590

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H22N4O3F2 392.406 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 2 -2.2859 -6.3798
LOGS LOGP    
-3.3698 0.4529    

Links to the same SMILES compounds

LIGANDBOX C07662 HTS1610-00157117 HTS1610-00157118 HTS1610-02287143 HTS1610-02287144
KSH2016-00015175 KSH2016-02038618
CHEMBL CHEMBL15273 CHEMBL297992 CHEMBL850
ZINC ZINC00538362 ZINC01271085 ZINC01271086
PUBCHEM 11618070 1398732 1398733 1398734 1398735
24800901 3002944 3002945 44551462 44551463 456400
46190846 46190847 46190848 46190910 46865748 46865749
46865862 482890 4921673 51035765 5257 56957481
60148439 60464 6475835 6956367


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