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PUBCHEM-ZINC01845747

 MMsINC code: MMs02823870
Type: Neutral
Formula: C5H8F4O2
SMILES:   FC(F)(OCCOC)C(F)F
InChI:   InChI=1/C5H8F4O2/c1-10-2-3-11-5(8,9)4(6)7/h4H,2-3H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.7684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.109 g/mol  logS: -1.16323  SlogP: 2.3471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0805389  Sterimol/B1: 2.70346  Sterimol/B2: 2.91733  Sterimol/B3: 2.97818
  Sterimol/B4: 4.33449  Sterimol/L: 11.325 
 
 Surface and Volume Properties
  Accessible surface: 340.977  Positive charged surface: 201.681  Negative charged surface: 139.296  Volume: 133.125
  Hydrophobic surface: 190.824  Hydrophilic surface: 150.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.