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PUBCHEM-ZINC05112640

 MMsINC code: MMs03201066
Type: Neutral
Formula: C4HF7O2
SMILES:   FC(C(O)=O)(C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C4HF7O2/c5-2(1(12)13,3(6,7)8)4(9,10)11/h(H,12,13)

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Potential Energy
Epot(MMFF94)=-9.46755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.036 g/mol  logS: -2.07605  SlogP: 3.1636  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.293448  Sterimol/B1: 3.02872  Sterimol/B2: 3.20734  Sterimol/B3: 3.37493
  Sterimol/B4: 4.27502  Sterimol/L: 8.43966 
 
 Surface and Volume Properties
  Accessible surface: 284.081  Positive charged surface: 46.9825  Negative charged surface: 237.099  Volume: 113.25
  Hydrophobic surface: 0  Hydrophilic surface: 284.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03201067
PUBCHEM-ZINC05112640