(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C14H12NO3FS3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC14H12NO3FS3
SmilesO=C(/C(/S1)=C/c(cccc2)c2F)N(C(CC2)CS2(=O)=O)C1=S
InChIInChI=1S/C14H12FNO3S3/c15-11-4-2-1-3-9(11)7-12-13(17)16(14(20)21-12)10-5-6-22(18,19)8-10/h1-4,7,10H,5-6,8H2/t10-/m1/s1
InChIKVWUUOPXKSWDZCH-SNVBAGLBSA-N
TotalMolweight357.449
Molweight357.449
MonoisotopicMass356.996332
CLogP0.8616
CLogS-3.996
H Acceptors4
TotalSurfaceArea237.93
Relative PSA0.38104
PolarSurfaceArea120.22
Druglikeness-0.79294
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.54545
Fragments1
Non HAtoms22
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms7
Symmetricatoms1
Amides1
StereoConracemate

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