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NCID-ZINC01594961

 MMsINC code: MMs02249314
Type: Neutral
Formula: C16H36N2+2
SMILES:   [N+](CC[N+]1(CCCCCCCC1)C)(CC)(CC)C
InChI:   InChI=1/C16H36N2/c1-5-17(3,6-2)15-16-18(4)13-11-9-7-8-10-12-14-18/h5-16H2,1-4H3/q+2

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Potential Energy
Epot(MMFF94)=184.681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.478 g/mol  logS: -1.76634  SlogP: 3.2736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184238  Sterimol/B1: 3.7948  Sterimol/B2: 4.1158  Sterimol/B3: 4.23356
  Sterimol/B4: 4.49411  Sterimol/L: 14.3233 
 
 Surface and Volume Properties
  Accessible surface: 496.259  Positive charged surface: 421.963  Negative charged surface: 74.2957  Volume: 301.125
  Hydrophobic surface: 408.951  Hydrophilic surface: 87.308
 
 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.