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

Formula:C26H20N4O8S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[3-[(5E)-5-[3-[3-(4-carboxyanilino)-3-oxopropyl]-2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid is not a drug-like molecule.
MolName4-[3-[(5E)-5-[3-[3-(4-carboxyanilino)-3-oxopropyl]-2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
MolecularFormulaC26H20N4O8S4
SmilesOC(c(cc1)ccc1NC(CCN(C(/C(/S1)=C(/C(N2CCC(Nc(cc3)ccc3C(O)=O)=O)=S)\SC2=O)=S)C1=O)=O)=O
InChIInChI=1S/C26H20N4O8S4/c31-17(27-15-5-1-13(2-6-15)23(33)34)9-11-29-21(39)19(41-25(29)37)20-22(40)30(26(38)42-20)12-10-18(32)28-16-7-3-14(4-8-16)24(35)36/h1-8H,9-12H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)
InChIKUIZVIMJMQASGFN-UHFFFAOYSA-N
TotalMolweight644.729
Molweight644.729
MonoisotopicMass644.016396
CLogP1.5206
CLogS-6.81
H Acceptors12
H Donors4
TotalSurfaceArea447.1
Relative PSA0.50423
PolarSurfaceArea288.2
Druglikeness4.5092
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.61905
Fragments1
Non HAtoms42
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms23
Amides4
AcidicOxygens2
StereoCon

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


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