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

MolecularFormula : C18H18N2O7S

Smiles : OC(COc1c(/C=C(/C(N2CC(N3CCOCC3)=O)=O)\SC2=O)cccc1)=O

InChI : InChI=1S/C18H18N2O7S/c21-15(19-5-7-26-8-6-19)10-20-17(24)14(28-18(20)25)9-12-3-1-2-4-13(12)27-11-16(22)23/h1-4,9H,5-8,10-11H2,(H,22,23)

InChIK : BMNIWQPEZGTOOB-UHFFFAOYSA-N

TotalMolweight : 406.414

Molweight : 406.414

MonoisotopicMass : 406.083473

CLogP : 0.1215

CLogS : -2.052

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 288.97

Relative PSA : 0.38014

PolarSurfaceArea : 138.75

Druglikeness : 4.6111

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! methylene-thiazolidine-2,4-dione

Shape Index : 0.57143

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 10

Symmetricatoms : 2

Amides : 2

AcidicOxygens : 1

StereoCon :