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PUBCHEM-ZINC06482926

 MMsINC code: MMs03759305
Type: Neutral
Formula: C13H25FO3
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)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=2.52354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.338 g/mol  logS: -2.80259  SlogP: 3.9863  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.017161  Sterimol/B1: 2.37843  Sterimol/B2: 2.66614  Sterimol/B3: 2.79618
  Sterimol/B4: 3.2582  Sterimol/L: 21.7018 
 
 Surface and Volume Properties
  Accessible surface: 560.927  Positive charged surface: 441.121  Negative charged surface: 119.807  Volume: 262.25
  Hydrophobic surface: 427.954  Hydrophilic surface: 132.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03759306
PUBCHEM-ZINC06482926