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PUBCHEM-ZINC05166242

 MMsINC code: MMs03218804
Type: Neutral
Formula: C2H3FO2
SMILES:   FOC(=O)C
InChI:   InChI=1/C2H3FO2/c1-2(4)5-3/h1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.0065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 78.042 g/mol  logS: -0.44168  SlogP: 0.434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0997552  Sterimol/B1: 1.99976  Sterimol/B2: 2.43777  Sterimol/B3: 2.51208
  Sterimol/B4: 3.2901  Sterimol/L: 7.1107 
 
 Surface and Volume Properties
  Accessible surface: 204.319  Positive charged surface: 82.3862  Negative charged surface: 121.933  Volume: 59.625
  Hydrophobic surface: 150.953  Hydrophilic surface: 53.366
 
 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.