(5E)-5-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Formula:C25H17NO5ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName	(5E)-5-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C25H17NO5ClFS
Smiles	O=C(/C(/S1)=C\c(cc2)ccc2OCc(cc2)cc3c2OCO3)N(Cc(c(F)ccc2)c2Cl)C1=O
InChI	InChI=1S/C25H17ClFNO5S/c26-19-2-1-3-20(27)18(19)12-28-24(29)23(34-25(28)30)11-15-4-7-17(8-5-15)31-13-16-6-9-21-22(10-16)33-14-32-21/h1-11H,12-14H2
InChIK	WPHVKQQYKPKEDI-UHFFFAOYSA-N
TotalMolweight	497.929
Molweight	497.929
MonoisotopicMass	497.049999
CLogP	5.3267
CLogS	-7.212
H Acceptors	6
TotalSurfaceArea	346.83
Relative PSA	0.22236
PolarSurfaceArea	90.37
Druglikeness	2.8251
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon

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1 - (5E)-5-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-3-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

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