(4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

Formula:C19H12N3O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E)-5-(4-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C19H12N3O3FS
Smiles	O/C(/c1ccncc1)=C(\C(c(cc1)ccc1F)N(C1=O)c2nccs2)/C1=O
InChI	InChI=1S/C19H12FN3O3S/c20-13-3-1-11(2-4-13)15-14(16(24)12-5-7-21-8-6-12)17(25)18(26)23(15)19-22-9-10-27-19/h1-10,15,24H/t15-/m1/s1
InChIK	SYUWLOSBSHHZDP-OAHLLOKOSA-N
TotalMolweight	381.386
Molweight	381.386
MonoisotopicMass	381.05834
CLogP	2.1595
CLogS	-3.245
H Acceptors	6
H Donors	1
TotalSurfaceArea	266.66
Relative PSA	0.31887
PolarSurfaceArea	111.63
Druglikeness	-1.1578
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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