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3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-[3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]ethyl]propanamide

Formula:C28H24N4O4Cl2S4 Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-[3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]ethyl]propanamide is not a drug-like molecule.
MolName3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-[3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]ethyl]propanamide
MolecularFormulaC28H24N4O4Cl2S4
SmilesO=C(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)NCCNC(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O
InChIInChI=1S/C28H24Cl2N4O4S4/c29-19-7-3-1-5-17(19)15-21-25(37)33(27(39)41-21)13-9-23(35)31-11-12-32-24(36)10-14-34-26(38)22(42-28(34)40)16-18-6-2-4-8-20(18)30/h1-8,15-16H,9-14H2,(H,31,35)(H,32,36)
InChIKBTMZVQUJHVMEDM-UHFFFAOYSA-N
TotalMolweight679.693
Molweight679.693
MonoisotopicMass678.00574
CLogP2.9178
CLogS-7.438
H Acceptors8
H Donors2
TotalSurfaceArea483.76
Relative PSA0.35795
PolarSurfaceArea213.6
Druglikeness5.7616
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61905
Fragments1
Non HAtoms42
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms21
Amides4
StereoCon

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