(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C22H20N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormulaC22H20N2O5S
SmilesO=C(CN(C(/C(/S1)=C/c2cc(Oc3ccccc3)ccc2)=O)C1=O)N1CCOCC1
InChIInChI=1S/C22H20N2O5S/c25-20(23-9-11-28-12-10-23)15-24-21(26)19(30-22(24)27)14-16-5-4-8-18(13-16)29-17-6-2-1-3-7-17/h1-8,13-14H,9-12,15H2
InChIKLVGXTDTZHRBLPD-UHFFFAOYSA-N
TotalMolweight424.476
Molweight424.476
MonoisotopicMass424.109293
CLogP2.4571
CLogS-4.556
H Acceptors7
TotalSurfaceArea310.87
Relative PSA0.26928
PolarSurfaceArea101.45
Druglikeness4.3523
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.6
Fragments1
Non HAtoms30
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
Amides2
StereoCon

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