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PUBCHEM-ZINC02555187

 MMsINC code: MMs02900338
Type: Ionized
Formula: C6H10FO5-
SMILES:   FC(C([O-])C(O)C=O)C(O)CO
InChI:   InChI=1/C6H10FO5/c7-5(3(10)1-8)6(12)4(11)2-9/h2-6,8,10-11H,1H2/q-1/t3-,4-,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=32.3524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.139 g/mol  logS: 0.79186  SlogP: -1.5435  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.155579  Sterimol/B1: 2.24051  Sterimol/B2: 2.83327  Sterimol/B3: 4.17444
  Sterimol/B4: 4.39915  Sterimol/L: 11.3298 
 
 Surface and Volume Properties
  Accessible surface: 335.853  Positive charged surface: 194.824  Negative charged surface: 141.029  Volume: 146.375
  Hydrophobic surface: 117.711  Hydrophilic surface: 218.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 1  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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Parent related molecule:


MMs02900337
PUBCHEM-ZINC02555187