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

Formula:C20H14N2O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
MolecularFormula	C20H14N2O7S
Smiles	OC(c1ccc(/C=C(/C(N2CC(Nc(cc3)cc4c3OCO4)=O)=O)\SC2=O)cc1)=O
InChI	InChI=1S/C20H14N2O7S/c23-17(21-13-5-6-14-15(8-13)29-10-28-14)9-22-18(24)16(30-20(22)27)7-11-1-3-12(4-2-11)19(25)26/h1-8H,9-10H2,(H,21,23)(H,25,26)
InChIK	BKKWZLYGXDMPOW-UHFFFAOYSA-N
TotalMolweight	426.404
Molweight	426.404
MonoisotopicMass	426.052173
CLogP	2.1312
CLogS	-4.785
H Acceptors	9
H Donors	2
TotalSurfaceArea	294.85
Relative PSA	0.39939
PolarSurfaceArea	147.54
Druglikeness	5.0272
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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