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PUBCHEM-ZINC01851692

 MMsINC code: MMs02825951
Type: Neutral
Formula: C14H34N2O2+2
SMILES:   O(CC[N+](CC)(C)C)CCOCC[N+](CC)(C)C
InChI:   InChI=1/C14H34N2O2/c1-7-15(3,4)9-11-17-13-14-18-12-10-16(5,6)8-2/h7-14H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=137.735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.438 g/mol  logS: -0.06526  SlogP: 1.2122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0986299  Sterimol/B1: 2.56895  Sterimol/B2: 2.92757  Sterimol/B3: 5.13792
  Sterimol/B4: 5.68604  Sterimol/L: 15.9113 
 
 Surface and Volume Properties
  Accessible surface: 547.728  Positive charged surface: 504.121  Negative charged surface: 43.6071  Volume: 300.375
  Hydrophobic surface: 426.294  Hydrophilic surface: 121.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.