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PUBCHEM-ZINC01856011

 MMsINC code: MMs02828248
Type: Neutral
Formula: C14H28NO4+
SMILES:   O(C(C(OCC[N+](C)(C)C)=O)C)C(=O)CCCCC
InChI:   InChI=1/C14H28NO4/c1-6-7-8-9-13(16)19-12(2)14(17)18-11-10-15(3,4)5/h12H,6-11H2,1-5H3/q+1/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=62.1085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.381 g/mol  logS: -2.25639  SlogP: 1.7478  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0478845  Sterimol/B1: 3.33039  Sterimol/B2: 3.58539  Sterimol/B3: 3.6277
  Sterimol/B4: 5.58319  Sterimol/L: 19.1161 
 
 Surface and Volume Properties
  Accessible surface: 582.63  Positive charged surface: 472.14  Negative charged surface: 110.489  Volume: 293.25
  Hydrophobic surface: 420.511  Hydrophilic surface: 162.119
 
 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.