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PUBCHEM-ZINC05952907

 MMsINC code: MMs03457967
Type: Neutral
Formula: C10H20NO2+
SMILES:   O(C(=O)C1[N+](CCCC1)(C)C)CC
InChI:   InChI=1/C10H20NO2/c1-4-13-10(12)9-7-5-6-8-11(9,2)3/h9H,4-8H2,1-3H3/q+1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=74.0712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.275 g/mol  logS: -0.84758  SlogP: 1.1784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136545  Sterimol/B1: 2.96137  Sterimol/B2: 3.60824  Sterimol/B3: 3.82054
  Sterimol/B4: 4.84404  Sterimol/L: 12.5173 
 
 Surface and Volume Properties
  Accessible surface: 404.354  Positive charged surface: 343.732  Negative charged surface: 60.6224  Volume: 197.25
  Hydrophobic surface: 327.166  Hydrophilic surface: 77.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.