2-[2-[(Z)-[3-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Formula:C20H14N2O6F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[3-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-[3-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
MolecularFormula	C20H14N2O6F2S
Smiles	OC(COc1c(/C=C(/C(N2CC(Nc(ccc(F)c3)c3F)=O)=O)\SC2=O)cccc1)=O
InChI	InChI=1S/C20H14F2N2O6S/c21-12-5-6-14(13(22)8-12)23-17(25)9-24-19(28)16(31-20(24)29)7-11-3-1-2-4-15(11)30-10-18(26)27/h1-8H,9-10H2,(H,23,25)(H,26,27)
InChIK	WFWKAUYLECHBLB-UHFFFAOYSA-N
TotalMolweight	448.401
Molweight	448.401
MonoisotopicMass	448.054064
CLogP	1.7963
CLogS	-4.482
H Acceptors	8
H Donors	2
TotalSurfaceArea	311.05
Relative PSA	0.34644
PolarSurfaceArea	138.31
Druglikeness	3.9153
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[2-[(Z)-[3-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[3-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

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