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2-[(5Z)-5-[[4-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C18H12N2O6S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[4-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.
MolName2-[(5Z)-5-[[4-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormulaC18H12N2O6S4
SmilesOC(CN(C(/C(/S1)=C/c2ccc(/C=C(/C(N3CC(O)=O)=O)\SC3=S)cc2)=O)C1=S)=O
InChIInChI=1S/C18H12N2O6S4/c21-13(22)7-19-15(25)11(29-17(19)27)5-9-1-2-10(4-3-9)6-12-16(26)20(8-14(23)24)18(28)30-12/h1-6H,7-8H2,(H,21,22)(H,23,24)
InChIKJXFGHXUVRFXDAH-UHFFFAOYSA-N
TotalMolweight480.565
Molweight480.565
MonoisotopicMass479.957818
CLogP-0.6054
CLogS-4.21
H Acceptors8
H Donors2
TotalSurfaceArea327.9
Relative PSA0.53809
PolarSurfaceArea230
Druglikeness-1.7362
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms30
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms8
Symmetricatoms16
Amides2
AcidicOxygens2
StereoCon

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