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NCID-ZINC01683758

 MMsINC code: MMs02317320
Type: Neutral
Formula: C16H38N2+2
SMILES:   [N+](CCCC[N+](CC)(CC)CC)(CC)(CC)CC
InChI:   InChI=1/C16H38N2/c1-7-17(8-2,9-3)15-13-14-16-18(10-4,11-5)12-6/h7-16H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=139.705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.494 g/mol  logS: -1.49236  SlogP: 3.5196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739656  Sterimol/B1: 2.93287  Sterimol/B2: 3.29274  Sterimol/B3: 4.82407
  Sterimol/B4: 4.82418  Sterimol/L: 15.6712 
 
 Surface and Volume Properties
  Accessible surface: 531.662  Positive charged surface: 411.113  Negative charged surface: 120.549  Volume: 312.375
  Hydrophobic surface: 371.922  Hydrophilic surface: 159.74
 
 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.