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PUBCHEM-ZINC04977203

 MMsINC code: MMs03187116
Type: Neutral
Formula: C5H10F2O4
SMILES:   FC(F)(O)COCC(O)CO
InChI:   InChI=1/C5H10F2O4/c6-5(7,10)3-11-2-4(9)1-8/h4,8-10H,1-3H2/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.2396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.127 g/mol  logS: 0.11514  SlogP: -0.6388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725838  Sterimol/B1: 2.62816  Sterimol/B2: 2.83629  Sterimol/B3: 3.18785
  Sterimol/B4: 3.82263  Sterimol/L: 12.6978 
 
 Surface and Volume Properties
  Accessible surface: 355.998  Positive charged surface: 223.116  Negative charged surface: 132.882  Volume: 137.125
  Hydrophobic surface: 130.583  Hydrophilic surface: 225.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.