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

Formula:C21H20N3O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
MolecularFormula	C21H20N3O3FS
Smiles	O=C(CN(C(/C(/S1)=C/c2cccn2-c(cccc2)c2F)=O)C1=O)N1CCCCC1
InChI	InChI=1S/C21H20FN3O3S/c22-16-8-2-3-9-17(16)24-12-6-7-15(24)13-18-20(27)25(21(28)29-18)14-19(26)23-10-4-1-5-11-23/h2-3,6-9,12-13H,1,4-5,10-11,14H2
InChIK	ARKNFNFRNMVMJW-UHFFFAOYSA-N
TotalMolweight	413.472
Molweight	413.472
MonoisotopicMass	413.12094
CLogP	2.5652
CLogS	-5.799
H Acceptors	6
TotalSurfaceArea	300.18
Relative PSA	0.23513
PolarSurfaceArea	87.92
Druglikeness	2.0214
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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