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

Formula:C32H31N5O4Cl2S4 Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-[4-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperazin-1-yl]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-[4-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperazin-1-yl]ethyl]propanamide
MolecularFormulaC32H31N5O4Cl2S4
SmilesO=C(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)NCCN(CC1)CCN1C(CCN(C(/C(/S1)=C\c(cccc2)c2Cl)=O)C1=S)=O
InChIInChI=1S/C32H31Cl2N5O4S4/c33-23-7-3-1-5-21(23)19-25-29(42)38(31(44)46-25)12-9-27(40)35-11-14-36-15-17-37(18-16-36)28(41)10-13-39-30(43)26(47-32(39)45)20-22-6-2-4-8-24(22)34/h1-8,19-20H,9-18H2,(H,35,40)
InChIKTZXPGJFCACNUED-UHFFFAOYSA-N
TotalMolweight748.799
Molweight748.799
MonoisotopicMass747.063589
CLogP3.2627
CLogS-6.645
H Acceptors9
H Donors1
TotalSurfaceArea534.44
Relative PSA0.31584
PolarSurfaceArea208.05
Druglikeness9.3092
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61702
Fragments1
Non HAtoms47
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond11
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms15
Symmetricatoms2
Amides4
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon

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