(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C18H15NO2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC18H15NO2S2
SmilesOc1ccc(/C=C(/C(N2CCc3ccccc3)=O)\SC2=S)cc1
InChIInChI=1S/C18H15NO2S2/c20-15-8-6-14(7-9-15)12-16-17(21)19(18(22)23-16)11-10-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2
InChIKYHXJSLLNANMGLB-UHFFFAOYSA-N
TotalMolweight341.454
Molweight341.454
MonoisotopicMass341.054419
CLogP2.8996
CLogS-4.277
H Acceptors3
H Donors1
TotalSurfaceArea256.35
Relative PSA0.29327
PolarSurfaceArea97.93
Druglikeness4.1634
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.65217
Fragments1
Non HAtoms23
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms4
Amides1
StereoCon

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