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ACROSORGANICS-ZINC01847484

 MMsINC code: MMs00012061
Type: Neutral
Formula: C5H2F6O4
SMILES:   FC(F)(C(F)(F)C(O)=O)C(F)(F)C(O)=O
InChI:   InChI=1/C5H2F6O4/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15/h(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=42.5947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.055 g/mol  logS: -1.69224  SlogP: 2.3212  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0890624  Sterimol/B1: 2.55752  Sterimol/B2: 2.87086  Sterimol/B3: 2.87093
  Sterimol/B4: 3.17464  Sterimol/L: 11.4497 
 
 Surface and Volume Properties
  Accessible surface: 324.944  Positive charged surface: 90.5929  Negative charged surface: 234.351  Volume: 132.625
  Hydrophobic surface: 0  Hydrophilic surface: 324.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00012062
ACROSORGANICS-ZINC01847484