2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

Formula:C15H13NO6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
MolecularFormula	C15H13NO6S2
Smiles	OC(CCC(C(O)=O)N(C(/C(/S1)=C/C=C/c2ccco2)=O)C1=S)=O
InChI	InChI=1S/C15H13NO6S2/c17-12(18)7-6-10(14(20)21)16-13(19)11(24-15(16)23)5-1-3-9-4-2-8-22-9/h1-5,8,10H,6-7H2,(H,17,18)(H,20,21)/t10-/m0/s1
InChIK	JKZNDTLNXHXHKA-JTQLQIEISA-N
TotalMolweight	367.401
Molweight	367.401
MonoisotopicMass	367.018429
CLogP	0.3642
CLogS	-3.3
H Acceptors	7
H Donors	2
TotalSurfaceArea	267.13
Relative PSA	0.48093
PolarSurfaceArea	165.44
Druglikeness	0.65981
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	7
Amides	1
AcidicOxygens	2
StereoCon	racemate

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1 - 2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid | 2 - 2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

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