5-[5-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Formula:C22H18N2O9S Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[5-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzene-1,3-dicarboxylic acid is not a drug-like molecule.

MolName	5-[5-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzene-1,3-dicarboxylic acid
MolecularFormula	C22H18N2O9S
Smiles	OC(c1cc(-c2ccc(/C=C(/C(N3CC(N4CCOCC4)=O)=O)\SC3=O)o2)cc(C(O)=O)c1)=O
InChI	InChI=1S/C22H18N2O9S/c25-18(23-3-5-32-6-4-23)11-24-19(26)17(34-22(24)31)10-15-1-2-16(33-15)12-7-13(20(27)28)9-14(8-12)21(29)30/h1-2,7-10H,3-6,11H2,(H,27,28)(H,29,30)
InChIK	PYQRCIBIGBDBFI-UHFFFAOYSA-N
TotalMolweight	486.456
Molweight	486.456
MonoisotopicMass	486.073303
CLogP	0.9706
CLogS	-3.745
H Acceptors	11
H Donors	2
TotalSurfaceArea	338.76
Relative PSA	0.41357
PolarSurfaceArea	179.96
Druglikeness	5.103
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	7
Amides	2
AcidicOxygens	2
StereoCon

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1 - 5-[5-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzene-1,3-dicarboxylic acid | 2 - 5-[5-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Request More Details | 5-[5-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

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