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PUBCHEM-ZINC06482937

 MMsINC code: MMs03759316
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-/m1/s1

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Potential Energy
Epot(MMFF94)=2.53422 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: 0.0171606  Sterimol/B1: 2.37839  Sterimol/B2: 2.66618  Sterimol/B3: 2.79609
  Sterimol/B4: 3.25832  Sterimol/L: 21.7027 
 
 Surface and Volume Properties
  Accessible surface: 560.914  Positive charged surface: 441.165  Negative charged surface: 119.748  Volume: 262.375
  Hydrophobic surface: 426.899  Hydrophilic surface: 134.015
 
 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


MMs03759317
PUBCHEM-ZINC06482937