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PUBCHEM-ZINC05259980

 MMsINC code: MMs03228517
Type: Neutral
Formula: C6H14S2
SMILES:   S(CCCC)CCS
InChI:   InChI=1/C6H14S2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.1248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.31 g/mol  logS: -2.61508  SlogP: 2.4495  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0398127  Sterimol/B1: 2.37534  Sterimol/B2: 2.37601  Sterimol/B3: 2.65896
  Sterimol/B4: 3.14681  Sterimol/L: 14.0438 
 
 Surface and Volume Properties
  Accessible surface: 377.878  Positive charged surface: 259.236  Negative charged surface: 118.642  Volume: 159.375
  Hydrophobic surface: 267.943  Hydrophilic surface: 109.935
 
 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.