LigandBoxID:D09331

NAME:Delafloxacin meglumine
SMILES: OC(c3cn(c4c(c(N1CC(C1)O)c(cc4c3=O)F)[Cl])c2nc(c(cc2F)F)N)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09331

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H11N4O4F3Cl 439.757 -1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 1.5908 -4.8610
LOGS LOGP    
-4.5593 -1.5471    

Links to the same SMILES compounds

LIGANDBOX D09330
ZINC ZINC03827556
PUBCHEM 11578213 23671005 23671128 40467046 46206335
46864306 487101 51038053


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