(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Formula:C20H12NO3ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C20H12NO3ClS2
Smiles	O=C(/C(/SC1=O)=C\c(o2)ccc2Sc(cc2)ccc2Cl)N1c1ccccc1
InChI	InChI=1S/C20H12ClNO3S2/c21-13-6-9-16(10-7-13)26-18-11-8-15(25-18)12-17-19(23)22(20(24)27-17)14-4-2-1-3-5-14/h1-12H
InChIK	IKQWCOTXURLOJC-UHFFFAOYSA-N
TotalMolweight	413.904
Molweight	413.904
MonoisotopicMass	412.994711
CLogP	4.9507
CLogS	-6.599
H Acceptors	4
TotalSurfaceArea	289.88
Relative PSA	0.27156
PolarSurfaceArea	101.12
Druglikeness	4.1989
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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