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3-[(5E)-4-oxo-5-[4-oxo-3-[3-oxo-3-(2-phenylethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-phenylethyl)propanamide

Formula:C28H28N4O4S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5E)-4-oxo-5-[4-oxo-3-[3-oxo-3-(2-phenylethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-phenylethyl)propanamide is not a drug-like molecule.
MolName3-[(5E)-4-oxo-5-[4-oxo-3-[3-oxo-3-(2-phenylethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-phenylethyl)propanamide
MolecularFormulaC28H28N4O4S4
SmilesO=C(CCN(C(/C(/S1)=C(/C(N2CCC(NCCc3ccccc3)=O)=O)\SC2=S)=O)C1=S)NCCc1ccccc1
InChIInChI=1S/C28H28N4O4S4/c33-21(29-15-11-19-7-3-1-4-8-19)13-17-31-25(35)23(39-27(31)37)24-26(36)32(28(38)40-24)18-14-22(34)30-16-12-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,29,33)(H,30,34)
InChIKSDBLCHNQSYURLV-UHFFFAOYSA-N
TotalMolweight612.818
Molweight612.818
MonoisotopicMass612.099336
CLogP1.7002
CLogS-5.468
H Acceptors8
H Donors2
TotalSurfaceArea453.94
Relative PSA0.38146
PolarSurfaceArea213.6
Druglikeness4.7274
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.65
Fragments1
Non HAtoms40
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond12
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms12
Symmetricatoms22
Amides4
StereoCon

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