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NCID-ZINC01646439

 MMsINC code: MMs02287092
Type: Neutral
Formula: C17H36N2+2
SMILES:   [N+]1(CCCCCC1)(CCC[N+]1(CCCCCC1)C)C
InChI:   InChI=1/C17H36N2/c1-18(12-7-3-4-8-13-18)16-11-17-19(2)14-9-5-6-10-15-19/h3-17H2,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=195.702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.489 g/mol  logS: -1.23917  SlogP: 3.4177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0991436  Sterimol/B1: 2.39053  Sterimol/B2: 3.55634  Sterimol/B3: 4.21632
  Sterimol/B4: 5.01135  Sterimol/L: 15.4756 
 
 Surface and Volume Properties
  Accessible surface: 517.827  Positive charged surface: 454.128  Negative charged surface: 63.6992  Volume: 305.875
  Hydrophobic surface: 473.313  Hydrophilic surface: 44.514
 
 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.