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MDPI-ZINC03847339

 MMsINC code: MMs02180828
Type: Neutral
Formula: C14H26NO4+
SMILES:   O(C(=O)CCC([N+]1(CCCC1)C)CCC(OC)=O)C
InChI:   InChI=1/C14H26NO4/c1-15(10-4-5-11-15)12(6-8-13(16)18-2)7-9-14(17)19-3/h12H,4-11H2,1-3H3/q+1

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Potential Energy
Epot(MMFF94)=137.249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.365 g/mol  logS: -0.89415  SlogP: 1.5018  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0905872  Sterimol/B1: 1.969  Sterimol/B2: 4.41479  Sterimol/B3: 5.28136
  Sterimol/B4: 5.44557  Sterimol/L: 16.7287 
 
 Surface and Volume Properties
  Accessible surface: 522.862  Positive charged surface: 430.295  Negative charged surface: 92.5671  Volume: 277
  Hydrophobic surface: 419.315  Hydrophilic surface: 103.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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.