LigandBoxID:D00453

NAME:Ofloxacin;OFLX;Floxin
SMILES: OC(c2cn3c(coc4c(N1CCN(CC1)C)c(cc(c43)c2=O)F)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00453

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H20N3O4F 361.373 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -2.3346 -6.3505
LOGS LOGP    
-2.0100 0.0728    

Links to the same SMILES compounds

LIGANDBOX C07321 C07660 D00588 D08120 D08291
PDB_LFX PDB_XED
CHEMBL CHEMBL33 CHEMBL420937
ZINC ZINC00537891 ZINC00537891 ZINC00538273 ZINC00538273
PUBCHEM 11089686 11111169 11717450 149096 16075076
16655034 178438 189546 19829991 21625851 21625852
23682208 24998059 24998060 25004668 25006323 25119532
3001338 3001836 3033924 3288597 44195276 452723
456466 456474 456479 4583 46190700 46190701
46191665 46191666 46191736 46194791 463072 465152
465156 46782054 46782612 46856307 46865072 46865073
46865074 46866671 46866672 46866673 471658 471662
472161 483623 49849761 51038503 51038726 52953174
52953213 52953214 52953215 56957313 56957480 64141
6475079 6475085 6956329 6956357 9830461 9908810


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