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

Formula:C14H9NO6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R)-2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate is a drug-like molecule.

MolName	(2R)-2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate
MolecularFormula	C14H9NO6S2
Smiles	[O-]C(C[C@H](C([O-])=O)N(C(/C(/S1)=C/C=C/c2ccco2)=O)C1=S)=O
InChI	InChI=1S/C14H11NO6S2/c16-11(17)7-9(13(19)20)15-12(18)10(23-14(15)22)5-1-3-8-4-2-6-21-8/h1-6,9H,7H2,(H,16,17)(H,19,20)/p-2/t9-/m1/s1
InChIK	PLHJCQICLZZWLN-SECBINFHSA-L
TotalMolweight	351.358
Molweight	351.358
MonoisotopicMass	350.987129
CLogP	-4.2422
CLogS	-3.03
H Acceptors	7
TotalSurfaceArea	255.73
Relative PSA	0.51159
PolarSurfaceArea	171.1
Druglikeness	4.4814
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Amides	1
AcidicOxygens	2
StereoCon	this enantiomer

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

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