2-[(3Z)-3-[(E)-[3-(2-hydroxyethylsulfanyl)-1-phenylpropylidene]hydrazinylidene]-3-phenylpropyl]sulfanylethanol

Formula:C22H28N2O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3Z)-3-[(E)-[3-(2-hydroxyethylsulfanyl)-1-phenylpropylidene]hydrazinylidene]-3-phenylpropyl]sulfanylethanol is not a drug-like molecule.

MolName2-[(3Z)-3-[(E)-[3-(2-hydroxyethylsulfanyl)-1-phenylpropylidene]hydrazinylidene]-3-phenylpropyl]sulfanylethanol
MolecularFormulaC22H28N2O2S2
SmilesOCCSCC/C(/c1ccccc1)=N\N=C(\CCSCCO)/c1ccccc1
InChIInChI=1S/C22H28N2O2S2/c25-13-17-27-15-11-21(19-7-3-1-4-8-19)23-24-22(12-16-28-18-14-26)20-9-5-2-6-10-20/h1-10,25-26H,11-18H2
InChIKZLNPVJFWPXYFSD-UHFFFAOYSA-N
TotalMolweight416.608
Molweight416.608
MonoisotopicMass416.159218
CLogP5.0092
CLogS-5.592
H Acceptors4
H Donors2
TotalSurfaceArea336.72
Relative PSA0.25006
PolarSurfaceArea115.78
Druglikeness0.64442
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsdimethylene-hydrazine
Shape Index0.57143
Fragments1
Non HAtoms28
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond13
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms12
Symmetricatoms4
StereoCon

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