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PUBCHEM-ZINC06068134

 MMsINC code: MMs03521076
Type: Neutral
Formula: C6H16NO2+
SMILES:   OC(C[N+](C)(C)C)CO
InChI:   InChI=1/C6H16NO2/c1-7(2,3)4-6(9)5-8/h6,8-9H,4-5H2,1-3H3/q+1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=62.2877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.199 g/mol  logS: 1.04703  SlogP: -0.9542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239399  Sterimol/B1: 2.04132  Sterimol/B2: 3.15138  Sterimol/B3: 3.5623
  Sterimol/B4: 4.72316  Sterimol/L: 10.5338 
 
 Surface and Volume Properties
  Accessible surface: 327.446  Positive charged surface: 296.855  Negative charged surface: 30.591  Volume: 145.125
  Hydrophobic surface: 191.128  Hydrophilic surface: 136.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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.