3-[(5Z)-5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Formula:C19H20N2O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.

MolName	3-[(5Z)-5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C19H20N2O6S2
Smiles	OC(CCN(C(/C(/S1)=C/c(cccc2)c2OCC(N2CCOCC2)=O)=O)C1=S)=O
InChI	InChI=1S/C19H20N2O6S2/c22-16(20-7-9-26-10-8-20)12-27-14-4-2-1-3-13(14)11-15-18(25)21(19(28)29-15)6-5-17(23)24/h1-4,11H,5-10,12H2,(H,23,24)
InChIK	SOPOVZVSMBHHOH-UHFFFAOYSA-N
TotalMolweight	436.508
Molweight	436.508
MonoisotopicMass	436.076278
CLogP	0.2307
CLogS	-2.673
H Acceptors	8
H Donors	1
TotalSurfaceArea	317.69
Relative PSA	0.39287
PolarSurfaceArea	153.77
Druglikeness	4.1873
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 3-[(5Z)-5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid | 2 - 3-[(5Z)-5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

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