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(2S)-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

Formula:C23H21N3O5F2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is not a drug-like molecule.
MolName(2S)-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
MolecularFormulaC23H21N3O5F2S2
SmilesO=C([C@H](CCC1)N1S(c(cccc1)c1F)(=O)=O)NCCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=O
InChIInChI=1S/C23H21F2N3O5S2/c24-16-9-7-15(8-10-16)14-19-22(30)27(23(31)34-19)13-11-26-21(29)18-5-3-12-28(18)35(32,33)20-6-2-1-4-17(20)25/h1-2,4,6-10,14,18H,3,5,11-13H2,(H,26,29)/t18-/m0/s1
InChIKMINBWJJCFWPXNH-SFHVURJKSA-N
TotalMolweight521.564
Molweight521.564
MonoisotopicMass521.089068
CLogP2.3058
CLogS-4.317
H Acceptors8
H Donors1
TotalSurfaceArea356.11
Relative PSA0.29134
PolarSurfaceArea137.54
Druglikeness7.2283
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms3
Amides3
StereoConthis enantiomer

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