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PUBCHEM-ZINC02023542

 MMsINC code: MMs02857329
Type: Neutral
Formula: C13H27N2O+
SMILES:   O=C1N(CCC1)CCCCCC[N+](C)(C)C
InChI:   InChI=1/C13H27N2O/c1-15(2,3)12-7-5-4-6-10-14-11-8-9-13(14)16/h4-12H2,1-3H3/q+1

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Potential Energy
Epot(MMFF94)=36.1906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.372 g/mol  logS: -0.46424  SlogP: 1.8754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057789  Sterimol/B1: 2.41002  Sterimol/B2: 2.5138  Sterimol/B3: 4.47004
  Sterimol/B4: 5.04325  Sterimol/L: 16.4577 
 
 Surface and Volume Properties
  Accessible surface: 514.581  Positive charged surface: 450.273  Negative charged surface: 64.3075  Volume: 260.875
  Hydrophobic surface: 417.76  Hydrophilic surface: 96.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.