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

Formula:C21H16N2O8S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(Z)-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(Z)-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
MolecularFormula	C21H16N2O8S
Smiles	OC(COc1ccc(/C=C(/C(N2CC(Nc(cc3)cc4c3OCO4)=O)=O)\SC2=O)cc1)=O
InChI	InChI=1S/C21H16N2O8S/c24-18(22-13-3-6-15-16(8-13)31-11-30-15)9-23-20(27)17(32-21(23)28)7-12-1-4-14(5-2-12)29-10-19(25)26/h1-8H,9-11H2,(H,22,24)(H,25,26)
InChIK	KVZMBJZJIFMVGK-UHFFFAOYSA-N
TotalMolweight	456.43
Molweight	456.43
MonoisotopicMass	456.062738
CLogP	1.7061
CLogS	-4.565
H Acceptors	10
H Donors	2
TotalSurfaceArea	318.61
Relative PSA	0.40099
PolarSurfaceArea	156.77
Druglikeness	5.2438
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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