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NCID-ZINC01621666

 MMsINC code: MMs02269535
Type: Neutral
Formula: C5H6F6O2
SMILES:   FC(F)(F)C(OCC)(O)C(F)(F)F
InChI:   InChI=1/C5H6F6O2/c1-2-13-3(12,4(6,7)8)5(9,10)11/h12H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.8291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.089 g/mol  logS: -2.07979  SlogP: 2.6759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214826  Sterimol/B1: 3.0222  Sterimol/B2: 3.50162  Sterimol/B3: 3.69683
  Sterimol/B4: 3.94611  Sterimol/L: 9.83511 
 
 Surface and Volume Properties
  Accessible surface: 324.199  Positive charged surface: 117.771  Negative charged surface: 206.428  Volume: 133.625
  Hydrophobic surface: 87.6397  Hydrophilic surface: 236.5593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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.