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PUBCHEM-ZINC05819418

 MMsINC code: MMs03398507
Type: Neutral
Formula: C11H24NO2+
SMILES:   OC(\C=C\CCC)C([N+](C)(C)C)CO
InChI:   InChI=1/C11H24NO2/c1-5-6-7-8-11(14)10(9-13)12(2,3)4/h7-8,10-11,13-14H,5-6,9H2,1-4H3/q+1/b8-7+/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=120.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.318 g/mol  logS: -0.81004  SlogP: 0.7707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134027  Sterimol/B1: 2.74353  Sterimol/B2: 3.72654  Sterimol/B3: 4.08269
  Sterimol/B4: 4.76072  Sterimol/L: 12.7936 
 
 Surface and Volume Properties
  Accessible surface: 435.45  Positive charged surface: 361.939  Negative charged surface: 73.5109  Volume: 225.375
  Hydrophobic surface: 280.637  Hydrophilic surface: 154.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.