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3-[(5E)-5-[3-[3-(2-hydroxyanilino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyphenyl)propanamide

Formula:C24H20N4O6S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5E)-5-[3-[3-(2-hydroxyanilino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyphenyl)propanamide is not a drug-like molecule.
MolName3-[(5E)-5-[3-[3-(2-hydroxyanilino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyphenyl)propanamide
MolecularFormulaC24H20N4O6S4
SmilesOc(cccc1)c1NC(CCN(C(/C(/S1)=C(/C(N2CCC(Nc(cccc3)c3O)=O)=O)\SC2=S)=O)C1=S)=O
InChIInChI=1S/C24H20N4O6S4/c29-15-7-3-1-5-13(15)25-17(31)9-11-27-21(33)19(37-23(27)35)20-22(34)28(24(36)38-20)12-10-18(32)26-14-6-2-4-8-16(14)30/h1-8,29-30H,9-12H2,(H,25,31)(H,26,32)
InChIKXLWIFMILXUEGDQ-UHFFFAOYSA-N
TotalMolweight588.709
Molweight588.709
MonoisotopicMass588.026566
CLogP0.7298
CLogS-5.02
H Acceptors10
H Donors4
TotalSurfaceArea411.6
Relative PSA0.48435
PolarSurfaceArea254.06
Druglikeness4.6965
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57895
Fragments1
Non HAtoms38
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms19
Amides4
StereoCon

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