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2-[6-[(5E)-5-[3-[6-(2-carboxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid

Formula:C32H32N4O8S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[6-[(5E)-5-[3-[6-(2-carboxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid is not a drug-like molecule.
MolName2-[6-[(5E)-5-[3-[6-(2-carboxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid
MolecularFormulaC32H32N4O8S4
SmilesOC(c(cccc1)c1NC(CCCCCN(C(/C(/S1)=C(/C(N2CCCCCC(Nc(cccc3)c3C(O)=O)=O)=O)\SC2=S)=O)C1=S)=O)=O
InChIInChI=1S/C32H32N4O8S4/c37-23(33-21-13-7-5-11-19(21)29(41)42)15-3-1-9-17-35-27(39)25(47-31(35)45)26-28(40)36(32(46)48-26)18-10-2-4-16-24(38)34-22-14-8-6-12-20(22)30(43)44/h5-8,11-14H,1-4,9-10,15-18H2,(H,33,37)(H,34,38)(H,41,42)(H,43,44)
InChIKAHAPMEIMCAOHFB-UHFFFAOYSA-N
TotalMolweight728.89
Molweight728.89
MonoisotopicMass728.110296
CLogP3.1178
CLogS-7.258
H Acceptors12
H Donors4
TotalSurfaceArea529.66
Relative PSA0.42563
PolarSurfaceArea288.2
Druglikeness-3.6269
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.58333
Fragments1
Non HAtoms48
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond16
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms16
Symmetricatoms24
Amides4
AcidicOxygens2
StereoCon

Request More Details | 2-[6-[(5E)-5-[3-[6-(2-carboxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid


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