(5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Formula:C20H18N3O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
MolecularFormula	C20H18N3O3FS
Smiles	O=C(CN(C(/C(/S1)=C/c2cccn2-c(cc2)ccc2F)=O)C1=O)N1CCCC1
InChI	InChI=1S/C20H18FN3O3S/c21-14-5-7-15(8-6-14)23-11-3-4-16(23)12-17-19(26)24(20(27)28-17)13-18(25)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10,13H2
InChIK	OJKIWNVOUBPMED-UHFFFAOYSA-N
TotalMolweight	399.445
Molweight	399.445
MonoisotopicMass	399.10529
CLogP	2.2232
CLogS	-5.529
H Acceptors	6
TotalSurfaceArea	286.42
Relative PSA	0.24642
PolarSurfaceArea	87.92
Druglikeness	4.0152
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

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