(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Formula:C22H16N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C22H16N2O2S
Smiles	C#CCN(C(/C(/S1)=C/c2cn(Cc3ccccc3)c3c2cccc3)=O)C1=O
InChI	InChI=1S/C22H16N2O2S/c1-2-12-24-21(25)20(27-22(24)26)13-17-15-23(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h1,3-11,13,15H,12,14H2
InChIK	AMRGIBLFVAXCOQ-UHFFFAOYSA-N
TotalMolweight	372.447
Molweight	372.447
MonoisotopicMass	372.093248
CLogP	3.2992
CLogS	-4.389
H Acceptors	4
TotalSurfaceArea	282.65
Relative PSA	0.19101
PolarSurfaceArea	67.61
Druglikeness	4.6012
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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