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PUBCHEM-ZINC02034568

 MMsINC code: MMs02860654
Type: Neutral
Formula: C5H12S2
SMILES:   S(SCC)CCC
InChI:   InChI=1/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.7416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.283 g/mol  logS: -2.54241  SlogP: 2.7977  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0853332  Sterimol/B1: 2.27551  Sterimol/B2: 2.81194  Sterimol/B3: 3.77373
  Sterimol/B4: 4.01916  Sterimol/L: 11.131 
 
 Surface and Volume Properties
  Accessible surface: 331.73  Positive charged surface: 212.775  Negative charged surface: 118.955  Volume: 142.5
  Hydrophobic surface: 217.272  Hydrophilic surface: 114.458
 
 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.