(5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C24H24N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormulaC24H24N2O5S
SmilesO=C(CN(C(/C(/S1)=C/c(cccc2)c2OCCOc2ccccc2)=O)C1=O)N1CCCC1
InChIInChI=1S/C24H24N2O5S/c27-22(25-12-6-7-13-25)17-26-23(28)21(32-24(26)29)16-18-8-4-5-11-20(18)31-15-14-30-19-9-2-1-3-10-19/h1-5,8-11,16H,6-7,12-15,17H2
InChIKABLNZPWNSHKEDL-UHFFFAOYSA-N
TotalMolweight452.53
Molweight452.53
MonoisotopicMass452.140593
CLogP3.2385
CLogS-4.146
H Acceptors7
TotalSurfaceArea338.39
Relative PSA0.24738
PolarSurfaceArea101.45
Druglikeness-1.9723
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.59375
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms4
Amides2
StereoCon

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