2-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide

Formula:C18H13N2O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide is a drug-like molecule.

MolName	2-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
MolecularFormula	C18H13N2O5FS
Smiles	Oc(ccc(/C=C(\C(N1CC(Nc(cc2)ccc2F)=O)=O)/SC1=O)c1)c1O
InChI	InChI=1S/C18H13FN2O5S/c19-11-2-4-12(5-3-11)20-16(24)9-21-17(25)15(27-18(21)26)8-10-1-6-13(22)14(23)7-10/h1-8,22-23H,9H2,(H,20,24)
InChIK	AYEQPUBWHIHXNM-UHFFFAOYSA-N
TotalMolweight	388.374
Molweight	388.374
MonoisotopicMass	388.052921
CLogP	1.9441
CLogS	-3.783
H Acceptors	7
H Donors	3
TotalSurfaceArea	269.54
Relative PSA	0.36291
PolarSurfaceArea	132.24
Druglikeness	3.8333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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