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MAYBRIDGE-ZINC04228064

 MMsINC code: MMs02162566
Type: Ionized
Formula: C7HF3O5-2
SMILES:   FC(F)(F)c1occ(C(=O)[O-])c1C(=O)[O-]
InChI:   InChI=1/C7H3F3O5/c8-7(9,10)4-3(6(13)14)2(1-15-4)5(11)12/h1H,(H,11,12)(H,13,14)/p-2

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Potential Energy
Epot(MMFF94)=41.8015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.074 g/mol  logS: -2.6527  SlogP: -0.6631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0712735  Sterimol/B1: 2.41298  Sterimol/B2: 2.67473  Sterimol/B3: 2.80666
  Sterimol/B4: 5.94782  Sterimol/L: 9.87094 
 
 Surface and Volume Properties
  Accessible surface: 329.924  Positive charged surface: 55.3914  Negative charged surface: 274.533  Volume: 141.625
  Hydrophobic surface: 54.8845  Hydrophilic surface: 275.0395
 
 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:


MMs02162565
MAYBRIDGE-ZINC04228064