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NCID-ZINC01646433

 MMsINC code: MMs02287085
Type: Neutral
Formula: C14H32N2+2
SMILES:   [N+](CC[N+]1(CCCCCC1)C)(CC)(CC)C
InChI:   InChI=1/C14H32N2/c1-5-15(3,6-2)13-14-16(4)11-9-7-8-10-12-16/h5-14H2,1-4H3/q+2

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Potential Energy
Epot(MMFF94)=182.03 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.424 g/mol  logS: -0.7359  SlogP: 2.4934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128585  Sterimol/B1: 2.4926  Sterimol/B2: 2.64843  Sterimol/B3: 4.14526
  Sterimol/B4: 6.10345  Sterimol/L: 13.6991 
 
 Surface and Volume Properties
  Accessible surface: 458.81  Positive charged surface: 386.864  Negative charged surface: 71.9454  Volume: 266.875
  Hydrophobic surface: 370.966  Hydrophilic surface: 87.844
 
 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.