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CHEMBRIDGE-ZINC02900790

 MMsINC code: MMs00738938
Type: Neutral
Formula: C14H34N2S2+2
SMILES:   S(SCCCC[N+](C)(C)C)CCCC[N+](C)(C)C
InChI:   InChI=1/C14H34N2S2/c1-15(2,3)11-7-9-13-17-18-14-10-8-12-16(4,5)6/h7-14H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=62.4715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.572 g/mol  logS: -2.02832  SlogP: 3.3406  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0443096  Sterimol/B1: 2.26773  Sterimol/B2: 2.82402  Sterimol/B3: 4.42512
  Sterimol/B4: 5.92408  Sterimol/L: 19.2168 
 
 Surface and Volume Properties
  Accessible surface: 609.41  Positive charged surface: 532.655  Negative charged surface: 76.7549  Volume: 325.625
  Hydrophobic surface: 430.643  Hydrophilic surface: 178.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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.