2-[(5Z)-5-[[1-(cyanomethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide

Formula:C22H15N4O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[1-(cyanomethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide is a drug-like molecule.

MolName	2-[(5Z)-5-[[1-(cyanomethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
MolecularFormula	C22H15N4O3FS
Smiles	N#CCn1c(cccc2)c2c(/C=C(/C(N2CC(Nc(cc3)ccc3F)=O)=O)\SC2=O)c1
InChI	InChI=1S/C22H15FN4O3S/c23-15-5-7-16(8-6-15)25-20(28)13-27-21(29)19(31-22(27)30)11-14-12-26(10-9-24)18-4-2-1-3-17(14)18/h1-8,11-12H,10,13H2,(H,25,28)
InChIK	IMLWNYNRXHDAGQ-UHFFFAOYSA-N
TotalMolweight	434.45
Molweight	434.45
MonoisotopicMass	434.084889
CLogP	2.3093
CLogS	-4.716
H Acceptors	7
H Donors	1
TotalSurfaceArea	316.11
Relative PSA	0.2912
PolarSurfaceArea	120.5
Druglikeness	-0.28833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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