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PUBCHEM-ZINC05134051

 MMsINC code: MMs03208966
Type: Neutral
Formula: C11H20NO+
SMILES:   OC1CC2[N+]3(C(C1)CC2)CCCC3
InChI:   InChI=1/C11H20NO/c13-11-7-9-3-4-10(8-11)12(9)5-1-2-6-12/h9-11,13H,1-8H2/q+1/t9-,10+,11-

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Potential Energy
Epot(MMFF94)=83.6404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.287 g/mol  logS: -0.81265  SlogP: 1.2827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.328854  Sterimol/B1: 3.5423  Sterimol/B2: 3.72238  Sterimol/B3: 3.91869
  Sterimol/B4: 3.97831  Sterimol/L: 10.4219 
 
 Surface and Volume Properties
  Accessible surface: 363.563  Positive charged surface: 289.558  Negative charged surface: 74.0054  Volume: 189.5
  Hydrophobic surface: 302.238  Hydrophilic surface: 61.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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.