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PUBCHEM-ZINC05997628

 MMsINC code: MMs03481635
Type: Neutral
Formula: C5H6F6O2
SMILES:   FC(F)(OC)C(OCF)C(F)(F)F
InChI:   InChI=1/C5H6F6O2/c1-12-5(10,11)3(13-2-6)4(7,8)9/h3H,2H2,1H3/t3-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.4644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.089 g/mol  logS: -1.7473  SlogP: 2.9399  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105164  Sterimol/B1: 2.4912  Sterimol/B2: 3.1352  Sterimol/B3: 3.31699
  Sterimol/B4: 3.86084  Sterimol/L: 10.3198 
 
 Surface and Volume Properties
  Accessible surface: 328.695  Positive charged surface: 164.512  Negative charged surface: 164.183  Volume: 135.875
  Hydrophobic surface: 137.8  Hydrophilic surface: 190.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.