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PUBCHEM-ZINC04012722

 MMsINC code: MMs03087204
Type: Neutral
Formula: C10H20O4S2
SMILES:   S(=O)(=O)(CCCCCC)C1CCS(=O)(=O)C1
InChI:   InChI=1/C10H20O4S2/c1-2-3-4-5-7-16(13,14)10-6-8-15(11,12)9-10/h10H,2-9H2,1H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=6.92669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.398 g/mol  logS: -2.23813  SlogP: 1.1686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422508  Sterimol/B1: 3.11575  Sterimol/B2: 3.19327  Sterimol/B3: 4.02408
  Sterimol/B4: 4.2608  Sterimol/L: 16.0961 
 
 Surface and Volume Properties
  Accessible surface: 487.282  Positive charged surface: 296.423  Negative charged surface: 190.859  Volume: 238.375
  Hydrophobic surface: 330.112  Hydrophilic surface: 157.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.