(5Z)-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C20H16N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormulaC20H16N2O3S
SmilesO=C(/C(/S1)=C/c2cn(CCOc3ccccc3)c3c2cccc3)NC1=O
InChIInChI=1S/C20H16N2O3S/c23-19-18(26-20(24)21-19)12-14-13-22(17-9-5-4-8-16(14)17)10-11-25-15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,21,23,24)
InChIKJUOBMMSJIPCPHP-UHFFFAOYSA-N
TotalMolweight364.424
Molweight364.424
MonoisotopicMass364.088163
CLogP2.9363
CLogS-4.292
H Acceptors5
H Donors1
TotalSurfaceArea270
Relative PSA0.2663
PolarSurfaceArea85.63
Druglikeness5.0418
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.57692
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms4
Symmetricatoms2
Amides1
Aromatic Nitrogens1
StereoCon

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