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PUBCHEM-ZINC05113847

 MMsINC code: MMs03201961
Type: Neutral
Formula: C6H14O6S4
SMILES:   S(O)(=O)(=O)CCCSSCCCS(O)(=O)=O
InChI:   InChI=1/C6H14O6S4/c7-15(8,9)5-1-3-13-14-4-2-6-16(10,11)12/h1-6H2,(H,7,8,9)(H,10,11,12)

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Potential Energy
Epot(MMFF94)=-15.8718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.436 g/mol  logS: -2.13086  SlogP: -0.2078  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0470371  Sterimol/B1: 3.02065  Sterimol/B2: 3.24455  Sterimol/B3: 3.4907
  Sterimol/B4: 3.97931  Sterimol/L: 16.9896 
 
 Surface and Volume Properties
  Accessible surface: 498.784  Positive charged surface: 233.537  Negative charged surface: 265.247  Volume: 230.25
  Hydrophobic surface: 183.304  Hydrophilic surface: 315.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs03201962
PUBCHEM-ZINC05113847