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PUBCHEM-ZINC05112604

 MMsINC code: MMs03201037
Type: Ionized
Formula: C6H3FO4-2
SMILES:   F\C(=C\C=C/C(=O)[O-])\C(=O)[O-]
InChI:   InChI=1/C6H5FO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)/p-2/b3-1+,4-2+

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Potential Energy
Epot(MMFF94)=27.6901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.084 g/mol  logS: -1.504  SlogP: -1.9953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234494  Sterimol/B1: 2.72593  Sterimol/B2: 2.74357  Sterimol/B3: 3.44595
  Sterimol/B4: 3.52469  Sterimol/L: 11.0464 
 
 Surface and Volume Properties
  Accessible surface: 313.991  Positive charged surface: 83.5199  Negative charged surface: 230.471  Volume: 123.375
  Hydrophobic surface: 111.65  Hydrophilic surface: 202.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs03201036
PUBCHEM-ZINC05112604