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ACROSORGANICS-ZINC01755719

 MMsINC code: MMs00011843
Type: Neutral
Formula: C4H5F3O2
SMILES:   FC(F)(F)C(OCC)=O
InChI:   InChI=1/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.9097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.076 g/mol  logS: -1.40891  SlogP: 1.5317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857403  Sterimol/B1: 2.19471  Sterimol/B2: 2.63785  Sterimol/B3: 2.63886
  Sterimol/B4: 3.8009  Sterimol/L: 9.85356 
 
 Surface and Volume Properties
  Accessible surface: 289.526  Positive charged surface: 124.162  Negative charged surface: 165.363  Volume: 102.75
  Hydrophobic surface: 106.204  Hydrophilic surface: 183.322
 
 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.