(5E)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Formula:C16H16N2O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C16H16N2O3S
Smiles	C#CCN(C(/C(/S1)=C\c2ccc(N3CCCCC3)o2)=O)C1=O
InChI	InChI=1S/C16H16N2O3S/c1-2-8-18-15(19)13(22-16(18)20)11-12-6-7-14(21-12)17-9-4-3-5-10-17/h1,6-7,11H,3-5,8-10H2
InChIK	OGPNKIDWKRHUMV-UHFFFAOYSA-N
TotalMolweight	316.38
Molweight	316.38
MonoisotopicMass	316.088163
CLogP	2.1426
CLogS	-4.61
H Acceptors	5
TotalSurfaceArea	240.62
Relative PSA	0.26922
PolarSurfaceArea	79.06
Druglikeness	3.9282
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon

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