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PUBCHEM-ZINC06373459

 MMsINC code: MMs03691005
Type: Neutral
Formula: C8H14S4
SMILES:   SC(=S)CCCCCCC(S)=S
InChI:   InChI=1/C8H14S4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.4753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.464 g/mol  logS: -6.04646  SlogP: 3.8414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300475  Sterimol/B1: 2.37493  Sterimol/B2: 2.37596  Sterimol/B3: 3.68458
  Sterimol/B4: 4.65373  Sterimol/L: 16.1258 
 
 Surface and Volume Properties
  Accessible surface: 462.497  Positive charged surface: 213.73  Negative charged surface: 248.767  Volume: 216.875
  Hydrophobic surface: 221.973  Hydrophilic surface: 240.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.