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ALFAAESAR-ZINC04716342

 MMsINC code: MMs00024975
Type: Neutral
Formula: C2H4F2O
SMILES:   FC(F)CO
InChI:   InChI=1/C2H4F2O/c3-2(4)1-5/h2,5H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.4081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 82.049 g/mol  logS: 0.08389  SlogP: 0.6637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284267  Sterimol/B1: 2.08269  Sterimol/B2: 2.63714  Sterimol/B3: 2.639
  Sterimol/B4: 2.9303  Sterimol/L: 6.69319 
 
 Surface and Volume Properties
  Accessible surface: 211.27  Positive charged surface: 119.832  Negative charged surface: 91.4379  Volume: 62
  Hydrophobic surface: 75.1651  Hydrophilic surface: 136.1049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.