LigandBoxID:D00326

NAME:Fluoxetine;Fluoxetine
SMILES: CNCCC(c1ccccc1)Oc2ccc(C(F)(F)F)cc2

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00326

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H19NOF3 310.339 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -4.2865 -12.6120
LOGS LOGP    
-4.6705 4.8358    

Links to the same SMILES compounds

LIGANDBOX D00823 HTS1610-00116592 HTS1610-00116593 HTS1610-00116594 HTS1610-00116595
HTS1610-00736867 HTS1610-00736868 KSH2016-00060663 KSH2016-04037390 PDB_RFX PDB_SFX
CHEMBL CHEMBL1169388 CHEMBL1201082 CHEMBL1256757 CHEMBL1257031 CHEMBL153036
CHEMBL41
ZINC ZINC01530637 ZINC01530638
PUBCHEM 10072084 10109635 11279423 11279424 11281720
11421678 11478854 11576374 11758740 11785230 11824156
13013909 1548967 1548968 1548969 1548970 15940193
16112843 16113887 21183431 22013440 22013446 22239425
23119587 24848071 25222724 3386 44669843 45039288
45039289 51371194 53313146 57369117 57369118 58297763
58297780 58297782 58297788 58297792 58297802 58297814
58297827 58297839 58297840 58297855 58297858 58297859
58297862 58297871 58297873 58297876 58297878 58297880
58297884 58297892 58297897 58297898 58297900 58297908
58297909 58297927 58297928 58297929 58297931 58297933
58297935 58918056 58918060 58918065 58918067 58918069
58918070 58918073 58918074 62857 657320 6914091
9798284 9809252 9826259 9827095 9851280 9869683
9872455 9875662 9884593 9893953 9894380 9917346
9935255


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