2-[[(5E)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile

Formula:C22H14N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(5E)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[(5E)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
MolecularFormula	C22H14N3O2FS
Smiles	N#Cc1c(CN(C(/C(/S2)=C\c3cccn3-c(cccc3)c3F)=O)C2=O)cccc1
InChI	InChI=1S/C22H14FN3O2S/c23-18-9-3-4-10-19(18)25-11-5-8-17(25)12-20-21(27)26(22(28)29-20)14-16-7-2-1-6-15(16)13-24/h1-12H,14H2
InChIK	YPJONNFLTZHIAB-UHFFFAOYSA-N
TotalMolweight	403.436
Molweight	403.436
MonoisotopicMass	403.079075
CLogP	3.3357
CLogS	-7.534
H Acceptors	5
TotalSurfaceArea	298.3
Relative PSA	0.22645
PolarSurfaceArea	91.4
Druglikeness	-0.97035
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 2-[[(5E)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile | 2 - 2-[[(5E)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile

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