(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Formula:C19H20N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
MolecularFormula	C19H20N2O5S
Smiles	O=C(CN(C(/C(/S1)=C/c(cc2)cc3c2OCCO3)=O)C1=O)N1CCCCC1
InChI	InChI=1S/C19H20N2O5S/c22-17(20-6-2-1-3-7-20)12-21-18(23)16(27-19(21)24)11-13-4-5-14-15(10-13)26-9-8-25-14/h4-5,10-11H,1-3,6-9,12H2
InChIK	SXXKPBHKEYKQOM-UHFFFAOYSA-N
TotalMolweight	388.443
Molweight	388.443
MonoisotopicMass	388.109293
CLogP	2.2043
CLogS	-3.33
H Acceptors	7
TotalSurfaceArea	278.89
Relative PSA	0.30015
PolarSurfaceArea	101.45
Druglikeness	-3.9738
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	2
Amides	2
StereoCon

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1 - (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

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