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PUBCHEM-ZINC05998267

 MMsINC code: MMs03482299
Type: Neutral
Formula: C7H13FO5
SMILES:   FC(C(OC)C(O)C(O)CO)C=O
InChI:   InChI=1/C7H13FO5/c1-13-7(4(8)2-9)6(12)5(11)3-10/h2,4-7,10-12H,3H2,1H3/t4-,5+,6+,7+/m0/s1

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Potential Energy
Epot(MMFF94)=67.0674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.174 g/mol  logS: 0.5182  SlogP: -1.3276  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.148487  Sterimol/B1: 2.1418  Sterimol/B2: 2.73004  Sterimol/B3: 3.82658
  Sterimol/B4: 5.30263  Sterimol/L: 11.9748 
 
 Surface and Volume Properties
  Accessible surface: 372.024  Positive charged surface: 268.644  Negative charged surface: 103.379  Volume: 165.625
  Hydrophobic surface: 171.117  Hydrophilic surface: 200.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.