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PUBCHEM-ZINC04556056

 MMsINC code: MMs03133505
Type: Neutral
Formula: C2H4F2O2
SMILES:   FC(F)(O)CO
InChI:   InChI=1/C2H4F2O2/c3-2(4,6)1-5/h5-6H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.6889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 98.048 g/mol  logS: 0.05524  SlogP: -0.0163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18282  Sterimol/B1: 2.10692  Sterimol/B2: 2.63726  Sterimol/B3: 2.63888
  Sterimol/B4: 2.97289  Sterimol/L: 7.82951 
 
 Surface and Volume Properties
  Accessible surface: 227.663  Positive charged surface: 117.682  Negative charged surface: 109.981  Volume: 69.125
  Hydrophobic surface: 51.2611  Hydrophilic surface: 176.4019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03133506
PUBCHEM-ZINC04556056