(5Z)-3-(3-chlorophenyl)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C27H18NO3ClS Mutagenic:low Tumorigenic:high Reproductive Effective:none (5Z)-3-(3-chlorophenyl)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName	(5Z)-3-(3-chlorophenyl)-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C27H18NO3ClS
Smiles	O=C(/C(/SC1=O)=C/c2cc(OCc3cccc4ccccc34)ccc2)N1c1cccc(Cl)c1
InChI	InChI=1S/C27H18ClNO3S/c28-21-10-5-11-22(16-21)29-26(30)25(33-27(29)31)15-18-6-3-12-23(14-18)32-17-20-9-4-8-19-7-1-2-13-24(19)20/h1-16H,17H2
InChIK	XQKDNRJKGGTAIU-UHFFFAOYSA-N
TotalMolweight	471.963
Molweight	471.963
MonoisotopicMass	471.069591
CLogP	6.386
CLogS	-8.315
H Acceptors	4
TotalSurfaceArea	341.06
Relative PSA	0.16748
PolarSurfaceArea	71.91
Druglikeness	3.0374
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Amides	1
StereoCon

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