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PUBCHEM-ZINC01856016

 MMsINC code: MMs02828250
Type: Neutral
Formula: C11H22NO4+
SMILES:   O(C(CC(OCC[N+](C)(C)C)=O)C)C(=O)C
InChI:   InChI=1/C11H22NO4/c1-9(16-10(2)13)8-11(14)15-7-6-12(3,4)5/h9H,6-8H2,1-5H3/q+1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=53.8062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.3 g/mol  logS: -0.39088  SlogP: 0.5775  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0665193  Sterimol/B1: 2.33163  Sterimol/B2: 3.23833  Sterimol/B3: 3.42935
  Sterimol/B4: 6.64963  Sterimol/L: 14.6279 
 
 Surface and Volume Properties
  Accessible surface: 486.304  Positive charged surface: 391.048  Negative charged surface: 95.2569  Volume: 238.125
  Hydrophobic surface: 355.231  Hydrophilic surface: 131.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.