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

Formula:C22H13N2O3FS Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(E)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzonitrile is a drug-like molecule.

MolName	4-[5-[(E)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzonitrile
MolecularFormula	C22H13N2O3FS
Smiles	N#Cc(cc1)ccc1-c1ccc(/C=C(\C(N2Cc(cccc3)c3F)=O)/SC2=O)o1
InChI	InChI=1S/C22H13FN2O3S/c23-18-4-2-1-3-16(18)13-25-21(26)20(29-22(25)27)11-17-9-10-19(28-17)15-7-5-14(12-24)6-8-15/h1-11H,13H2
InChIK	PALUMFVISRAGBH-UHFFFAOYSA-N
TotalMolweight	404.42
Molweight	404.42
MonoisotopicMass	404.063091
CLogP	4.0357
CLogS	-6.657
H Acceptors	5
TotalSurfaceArea	298.79
Relative PSA	0.25031
PolarSurfaceArea	99.61
Druglikeness	-0.39549
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.62069
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
Symmetricatoms	2
Amides	1
StereoCon

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