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ALFAAESAR-ZINC02579127

 MMsINC code: MMs00024097
Type: Neutral
Formula: C3H4F2O2
SMILES:   FC(F)C(OC)=O
InChI:   InChI=1/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.7238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 110.059 g/mol  logS: -0.52682  SlogP: 0.8444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090968  Sterimol/B1: 2.44628  Sterimol/B2: 2.53272  Sterimol/B3: 2.55046
  Sterimol/B4: 3.31558  Sterimol/L: 8.30945 
 
 Surface and Volume Properties
  Accessible surface: 249.268  Positive charged surface: 140.129  Negative charged surface: 109.14  Volume: 83.25
  Hydrophobic surface: 115.109  Hydrophilic surface: 134.159
 
 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.