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OAKWOOD-ZINC04290334

 MMsINC code: MMs02550973
Type: Neutral
Formula: C5H8F2O2
SMILES:   FC(F)(C(OCC)=O)C
InChI:   InChI=1/C5H8F2O2/c1-3-9-4(8)5(2,6)7/h3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.7126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.113 g/mol  logS: -1.35647  SlogP: 1.6246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747996  Sterimol/B1: 2.6028  Sterimol/B2: 2.85772  Sterimol/B3: 3.10032
  Sterimol/B4: 3.48815  Sterimol/L: 10.8164 
 
 Surface and Volume Properties
  Accessible surface: 309.633  Positive charged surface: 171.545  Negative charged surface: 138.088  Volume: 117.25
  Hydrophobic surface: 162.141  Hydrophilic surface: 147.492
 
 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.