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(5E)-3-[[cyclohexyl-[[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]amino]methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C28H25N3O4F2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-[[cyclohexyl-[[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]amino]methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
MolName(5E)-3-[[cyclohexyl-[[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]amino]methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormulaC28H25N3O4F2S2
SmilesO=C(/C(/S1)=C\c(cc2)ccc2F)N(CN(CN(C(/C(/S2)=C\c(cc3)ccc3F)=O)C2=O)C2CCCCC2)C1=O
InChIInChI=1S/C28H25F2N3O4S2/c29-20-10-6-18(7-11-20)14-23-25(34)32(27(36)38-23)16-31(22-4-2-1-3-5-22)17-33-26(35)24(39-28(33)37)15-19-8-12-21(30)13-9-19/h6-15,22H,1-5,16-17H2
InChIKWFCOBPHEOHASEH-UHFFFAOYSA-N
TotalMolweight569.652
Molweight569.652
MonoisotopicMass569.125453
CLogP4.8159
CLogS-7.873
H Acceptors7
TotalSurfaceArea400.34
Relative PSA0.24427
PolarSurfaceArea128.6
Druglikeness-2.7036
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsmethanediamine; limit! methylene-thiazolidine-2,4-dione
Shape Index0.53846
Fragments1
Non HAtoms39
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms11
Symmetricatoms20
Amides2
BasicNitrogens1
StereoCon

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