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PUBCHEM-ZINC05837027

 MMsINC code: MMs03408555
Type: Neutral
Formula: C6H14S2
SMILES:   S(SCCC)C(C)C
InChI:   InChI=1/C6H14S2/c1-4-5-7-8-6(2)3/h6H,4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.79837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.31 g/mol  logS: -2.86962  SlogP: 3.1862  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0800048  Sterimol/B1: 2.24164  Sterimol/B2: 3.15568  Sterimol/B3: 3.76167
  Sterimol/B4: 4.42246  Sterimol/L: 10.8905 
 
 Surface and Volume Properties
  Accessible surface: 359.786  Positive charged surface: 229.674  Negative charged surface: 130.112  Volume: 158.75
  Hydrophobic surface: 235.056  Hydrophilic surface: 124.73
 
 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.