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PUBCHEM-ZINC06068405

 MMsINC code: MMs03521300
Type: Neutral
Formula: C10H22O4S4
SMILES:   S(=S)(OCCCCCCCCOS(=S)(=O)C)(=O)C
InChI:   InChI=1/C10H22O4S4/c1-17(11,15)13-9-7-5-3-4-6-8-10-14-18(2,12)16/h3-10H2,1-2H3/t17-,18+

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Potential Energy
Epot(MMFF94)=73.6142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.546 g/mol  logS: -4.66608  SlogP: 1.9424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204409  Sterimol/B1: 3.24642  Sterimol/B2: 3.65559  Sterimol/B3: 3.69968
  Sterimol/B4: 4.63186  Sterimol/L: 21.3057 
 
 Surface and Volume Properties
  Accessible surface: 603.319  Positive charged surface: 344.098  Negative charged surface: 259.221  Volume: 290.625
  Hydrophobic surface: 364.098  Hydrophilic surface: 239.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.