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PUBCHEM-ZINC02509802

 MMsINC code: MMs02890878
Type: Neutral
Formula: C10H24NO2S2+
SMILES:   S(SCCCCCC[N+](C)(C)C)(=O)(=O)C
InChI:   InChI=1/C10H24NO2S2/c1-11(2,3)9-7-5-6-8-10-14-15(4,12)13/h5-10H2,1-4H3/q+1

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Potential Energy
Epot(MMFF94)=43.9539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.439 g/mol  logS: -1.3801  SlogP: 1.9458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715169  Sterimol/B1: 2.16431  Sterimol/B2: 2.49349  Sterimol/B3: 4.6925
  Sterimol/B4: 5.01075  Sterimol/L: 15.7146 
 
 Surface and Volume Properties
  Accessible surface: 504.577  Positive charged surface: 371.271  Negative charged surface: 133.306  Volume: 252.25
  Hydrophobic surface: 343.631  Hydrophilic surface: 160.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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.