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PUBCHEM-ZINC02041049

 MMsINC code: MMs02863016
Type: Neutral
Formula: C10H22S2
SMILES:   S(SCCCCC)CCCCC
InChI:   InChI=1/C10H22S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.07358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.418 g/mol  logS: -4.80506  SlogP: 4.7482  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0447152  Sterimol/B1: 2.38726  Sterimol/B2: 3.29696  Sterimol/B3: 3.87082
  Sterimol/B4: 4.75261  Sterimol/L: 17.1238 
 
 Surface and Volume Properties
  Accessible surface: 483.021  Positive charged surface: 344.322  Negative charged surface: 138.699  Volume: 229.75
  Hydrophobic surface: 368.835  Hydrophilic surface: 114.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.