3-[[4-[(E)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid

Formula:C26H19N2O6FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-[(E)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid is not a drug-like molecule.

MolName	3-[[4-[(E)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C26H19N2O6FS
Smiles	OC(c1cccc(COc2ccc(/C=C(\C(N3CC(Nc(cccc4)c4F)=O)=O)/SC3=O)cc2)c1)=O
InChI	InChI=1S/C26H19FN2O6S/c27-20-6-1-2-7-21(20)28-23(30)14-29-24(31)22(36-26(29)34)13-16-8-10-19(11-9-16)35-15-17-4-3-5-18(12-17)25(32)33/h1-13H,14-15H2,(H,28,30)(H,32,33)
InChIK	SRMNPXPUUDGYSX-UHFFFAOYSA-N
TotalMolweight	506.509
Molweight	506.509
MonoisotopicMass	506.094786
CLogP	3.4687
CLogS	-5.729
H Acceptors	8
H Donors	2
TotalSurfaceArea	364.46
Relative PSA	0.29567
PolarSurfaceArea	138.31
Druglikeness	3.5597
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 3-[[4-[(E)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 3-[[4-[(E)-[3-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid

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