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NCID-ZINC01640800

 MMsINC code: MMs02282865
Type: Neutral
Formula: C6H14S2
SMILES:   S(CCSCC)CC
InChI:   InChI=1/C6H14S2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.1863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.31 g/mol  logS: -2.22872  SlogP: 2.4926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0332782  Sterimol/B1: 2.37522  Sterimol/B2: 2.37525  Sterimol/B3: 2.53604
  Sterimol/B4: 3.231  Sterimol/L: 14.2384 
 
 Surface and Volume Properties
  Accessible surface: 383.72  Positive charged surface: 272.986  Negative charged surface: 110.734  Volume: 160.625
  Hydrophobic surface: 272.986  Hydrophilic surface: 110.734
 
 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.