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NCID-ZINC01636923

 MMsINC code: MMs02280087
Type: Neutral
Formula: C16H38N2+2
SMILES:   [N+](C(CCCCC([N+](C)(C)C)(C)C)(C)C)(C)(C)C
InChI:   InChI=1/C16H38N2/c1-15(2,17(5,6)7)13-11-12-14-16(3,4)18(8,9)10/h11-14H2,1-10H3/q+2

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Potential Energy
Epot(MMFF94)=155.582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.494 g/mol  logS: -1.24148  SlogP: 3.5164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999469  Sterimol/B1: 2.12059  Sterimol/B2: 2.37502  Sterimol/B3: 4.81036
  Sterimol/B4: 4.87425  Sterimol/L: 15.7959 
 
 Surface and Volume Properties
  Accessible surface: 527.543  Positive charged surface: 458.618  Negative charged surface: 68.9251  Volume: 313.375
  Hydrophobic surface: 362.887  Hydrophilic surface: 164.656
 
 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.