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PUBCHEM-ZINC02555183

 MMsINC code: MMs02900335
Type: Neutral
Formula: C6H11FO5
SMILES:   FC(C(O)C(O)CO)C(O)C=O
InChI:   InChI=1/C6H11FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1

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Potential Energy
Epot(MMFF94)=55.178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.86338  SlogP: -1.9817  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0966465  Sterimol/B1: 2.82829  Sterimol/B2: 3.04899  Sterimol/B3: 3.28346
  Sterimol/B4: 3.7618  Sterimol/L: 12.0813 
 
 Surface and Volume Properties
  Accessible surface: 343.075  Positive charged surface: 225.498  Negative charged surface: 117.577  Volume: 149.75
  Hydrophobic surface: 109.685  Hydrophilic surface: 233.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.