(5Z)-3-[(4-fluoroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C17H12N2O2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(4-fluoroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-3-[(4-fluoroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormulaC17H12N2O2F2S
SmilesO=C(/C(/S1)=C/c(cc2)ccc2F)N(CNc(cc2)ccc2F)C1=O
InChIInChI=1S/C17H12F2N2O2S/c18-12-3-1-11(2-4-12)9-15-16(22)21(17(23)24-15)10-20-14-7-5-13(19)6-8-14/h1-9,20H,10H2
InChIKZFRJBEJMVYQTNC-UHFFFAOYSA-N
TotalMolweight346.356
Molweight346.356
MonoisotopicMass346.058754
CLogP3.1053
CLogS-5.236
H Acceptors4
H Donors1
TotalSurfaceArea245.44
Relative PSA0.23867
PolarSurfaceArea74.71
Druglikeness2.4471
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsmethanediamine; limit! methylene-thiazolidine-2,4-dione
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
Amides1
StereoCon

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