N-(2-fluorophenyl)-2-[(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Formula:C22H16N3O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-fluorophenyl)-2-[(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(2-fluorophenyl)-2-[(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C22H16N3O4FS
Smiles	Oc(cc1)ccc1-n1c(/C=C(\C(N2CC(Nc(cccc3)c3F)=O)=O)/SC2=O)ccc1
InChI	InChI=1S/C22H16FN3O4S/c23-17-5-1-2-6-18(17)24-20(28)13-26-21(29)19(31-22(26)30)12-15-4-3-11-25(15)14-7-9-16(27)10-8-14/h1-12,27H,13H2,(H,24,28)
InChIK	USROBXIWJTVBRX-UHFFFAOYSA-N
TotalMolweight	437.45
Molweight	437.45
MonoisotopicMass	437.084555
CLogP	2.5287
CLogS	-6.416
H Acceptors	7
H Donors	2
TotalSurfaceArea	312.15
Relative PSA	0.29342
PolarSurfaceArea	116.94
Druglikeness	4.07
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
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	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - N-(2-fluorophenyl)-2-[(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide | 2 - N-(2-fluorophenyl)-2-[(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

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