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PUBCHEM-ZINC06793155

 MMsINC code: MMs03861423
Type: Neutral
Formula: C11H24NO2S2-
SMILES:   S(=S)(OC)(=O)CCCCCCCCCC[NH-]
InChI:   InChI=1/C11H24NO2S2/c1-14-16(13,15)11-9-7-5-3-2-4-6-8-10-12/h12H,2-11H2,1H3/q-1/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=40.3653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.45 g/mol  logS: -3.79326  SlogP: 2.6978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0203806  Sterimol/B1: 2.92437  Sterimol/B2: 2.97846  Sterimol/B3: 3.67079
  Sterimol/B4: 3.78956  Sterimol/L: 20.8301 
 
 Surface and Volume Properties
  Accessible surface: 546.753  Positive charged surface: 389.671  Negative charged surface: 157.081  Volume: 265.75
  Hydrophobic surface: 396.594  Hydrophilic surface: 150.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 1  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.