(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione

Formula:C18H13N2O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C18H13N2O4FS
Smiles	O=C(/C(/S1)=C\c(cc2)cc3c2OCO3)N(CNc(cc2)ccc2F)C1=O
InChI	InChI=1S/C18H13FN2O4S/c19-12-2-4-13(5-3-12)20-9-21-17(22)16(26-18(21)23)8-11-1-6-14-15(7-11)25-10-24-14/h1-8,20H,9-10H2
InChIK	AXWVAFPXJQFWGW-UHFFFAOYSA-N
TotalMolweight	372.375
Molweight	372.375
MonoisotopicMass	372.058006
CLogP	3.1159
CLogS	-5.633
H Acceptors	6
H Donors	1
TotalSurfaceArea	259.35
Relative PSA	0.30299
PolarSurfaceArea	93.17
Druglikeness	2.3511
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	methanediamine; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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1 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione

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