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PUBCHEM-ZINC02517064

 MMsINC code: MMs02891558
Type: Neutral
Formula: C6H11FO5
SMILES:   FCC(O)C(O)C(O)C(O)C=O
InChI:   InChI=1/C6H11FO5/c7-1-3(9)5(11)6(12)4(10)2-8/h2-6,9-12H,1H2/t3-,4+,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=58.9766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.86338  SlogP: -2.4016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.162249  Sterimol/B1: 2.67969  Sterimol/B2: 2.93989  Sterimol/B3: 3.44639
  Sterimol/B4: 3.55377  Sterimol/L: 11.4157 
 
 Surface and Volume Properties
  Accessible surface: 338.196  Positive charged surface: 205.628  Negative charged surface: 132.568  Volume: 148.75
  Hydrophobic surface: 110.722  Hydrophilic surface: 227.474
 
 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.