LigandBoxID:D00873

NAME:Lomefloxacin hydrochloride;LFLX;Maxaquin
SMILES: CCn2cc(c(c3cc(c(c(c32)F)N1CCNC(C1)C)F)=O)C(=O)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00873

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H19N3O3F2 351.353 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -2.4162 -6.3648
LOGS LOGP    
-3.5693 0.9872    

Links to the same SMILES compounds

LIGANDBOX C07078 C08053 D02318 D02541 HTS1610-00128178
HTS1610-00128179 HTS1610-00128180 HTS1610-00128181
CHEMBL CHEMBL1406871 CHEMBL1728 CHEMBL561
ZINC ZINC03873156 ZINC03873157
PUBCHEM 11653199 23615798 23615799 24848225 25064410
25064411 25064412 25064413 3948 40468045 40468046
45114125 46190772 46190773 46865863 46865864 46865957
46911850 51036791 57516048 60622 6603903 68624
9843231 9843232 9930170


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