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PUBCHEM-ZINC06482937

 MMsINC code: MMs03759317
Type: Ionized
Formula: C13H24FO3-
SMILES:   FC(CCCCCCCCCOC)CC(=O)[O-]
InChI:   InChI=1/C13H25FO3/c1-17-10-8-6-4-2-3-5-7-9-12(14)11-13(15)16/h12H,2-11H2,1H3,(H,15,16)/p-1/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=4.82862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.33 g/mol  logS: -3.06304  SlogP: 2.6516  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0197134  Sterimol/B1: 2.67169  Sterimol/B2: 2.8754  Sterimol/B3: 2.92426
  Sterimol/B4: 2.99144  Sterimol/L: 21.261 
 
 Surface and Volume Properties
  Accessible surface: 554.023  Positive charged surface: 417.255  Negative charged surface: 136.768  Volume: 258.875
  Hydrophobic surface: 419.848  Hydrophilic surface: 134.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  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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Parent related molecule:


MMs03759316
PUBCHEM-ZINC06482937