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N'-[4-[(5E)-4-oxo-5-[4-oxo-3-[4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]pyridine-3-carbohydrazide

Formula:C26H24N8O6S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[4-[(5E)-4-oxo-5-[4-oxo-3-[4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]pyridine-3-carbohydrazide is not a drug-like molecule.
MolNameN'-[4-[(5E)-4-oxo-5-[4-oxo-3-[4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]pyridine-3-carbohydrazide
MolecularFormulaC26H24N8O6S4
SmilesO=C(CCCN(C(/C(/S1)=C(/C(N2CCCC(NNC(c3cnccc3)=O)=O)=O)\SC2=S)=O)C1=S)NNC(c1cnccc1)=O
InChIInChI=1S/C26H24N8O6S4/c35-17(29-31-21(37)15-5-1-9-27-13-15)7-3-11-33-23(39)19(43-25(33)41)20-24(40)34(26(42)44-20)12-4-8-18(36)30-32-22(38)16-6-2-10-28-14-16/h1-2,5-6,9-10,13-14H,3-4,7-8,11-12H2,(H,29,35)(H,30,36)(H,31,37)(H,32,38)
InChIKMMBVJWPWUJVIMT-UHFFFAOYSA-N
TotalMolweight672.791
Molweight672.791
MonoisotopicMass672.070162
CLogP-2.0508
CLogS-4.926
H Acceptors14
H Donors4
TotalSurfaceArea482.36
Relative PSA0.50605
PolarSurfaceArea297.58
Druglikeness4.2516
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.63636
Fragments1
Non HAtoms44
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond12
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms22
Amides2
Aromatic Nitrogens2
StereoCon

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