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PUBCHEM-ZINC06424754

 MMsINC code: MMs03724400
Type: Neutral
Formula: C15H34N2+2
SMILES:   [N+](CC\C=C\C[N+](CC)(CC)C)(CC)(CC)C
InChI:   InChI=1/C15H34N2/c1-7-16(5,8-2)14-12-11-13-15-17(6,9-3)10-4/h11-12H,7-10,13-15H2,1-6H3/q+2/b12-11+

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Potential Energy
Epot(MMFF94)=116.912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.451 g/mol  logS: -0.82214  SlogP: 2.9055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110893  Sterimol/B1: 2.08372  Sterimol/B2: 2.95162  Sterimol/B3: 5.06819
  Sterimol/B4: 5.58411  Sterimol/L: 15.5642 
 
 Surface and Volume Properties
  Accessible surface: 512.015  Positive charged surface: 416.007  Negative charged surface: 96.0077  Volume: 294.625
  Hydrophobic surface: 357.647  Hydrophilic surface: 154.368
 
 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.