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PUBCHEM-ZINC02020056

 MMsINC code: MMs02855585
Type: Neutral
Formula: C7H16O4S4
SMILES:   S(SCCCCCSS(=O)(=O)C)(=O)(=O)C
InChI:   InChI=1/C7H16O4S4/c1-14(8,9)12-6-4-3-5-7-13-15(2,10)11/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.0574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.465 g/mol  logS: -2.62579  SlogP: 1.5423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733157  Sterimol/B1: 2.63833  Sterimol/B2: 3.36817  Sterimol/B3: 4.17693
  Sterimol/B4: 4.59891  Sterimol/L: 15.1924 
 
 Surface and Volume Properties
  Accessible surface: 485.994  Positive charged surface: 236.557  Negative charged surface: 249.436  Volume: 234
  Hydrophobic surface: 282.008  Hydrophilic surface: 203.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.