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PUBCHEM-ZINC05131689

 MMsINC code: MMs03206562
Type: Neutral
Formula: C3H3F5O
SMILES:   FC(F)(OCF)C(F)F
InChI:   InChI=1/C3H3F5O/c4-1-9-3(7,8)2(5)6/h2H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.2614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.046 g/mol  logS: -1.04978  SlogP: 2.6277  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.166243  Sterimol/B1: 2.73176  Sterimol/B2: 2.78076  Sterimol/B3: 3.14279
  Sterimol/B4: 3.30508  Sterimol/L: 8.33657 
 
 Surface and Volume Properties
  Accessible surface: 259.175  Positive charged surface: 93.2247  Negative charged surface: 165.95  Volume: 90
  Hydrophobic surface: 57.9604  Hydrophilic surface: 201.2146
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.