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ALFAAESAR-ZINC00158096

 MMsINC code: MMs00020360
Type: Neutral
Formula: C5H7FO4
SMILES:   FC(C(OC)=O)C(OC)=O
InChI:   InChI=1/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.2923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.105 g/mol  logS: -0.73057  SlogP: 0.0904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746188  Sterimol/B1: 2.48839  Sterimol/B2: 2.51095  Sterimol/B3: 3.26178
  Sterimol/B4: 4.36804  Sterimol/L: 11.2847 
 
 Surface and Volume Properties
  Accessible surface: 325.767  Positive charged surface: 227.497  Negative charged surface: 98.2699  Volume: 122.125
  Hydrophobic surface: 202.775  Hydrophilic surface: 122.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.