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PUBCHEM-ZINC04529606

 MMsINC code: MMs03129119
Type: Neutral
Formula: C6H3F7O4
SMILES:   FC(F)(C(F)(F)C(O)=O)C(F)C(F)(F)C(O)=O
InChI:   InChI=1/C6H3F7O4/c7-1(4(8,9)2(14)15)5(10,11)6(12,13)3(16)17/h1H,(H,14,15)(H,16,17)/t1-/m1/s1

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Potential Energy
Epot(MMFF94)=47.9527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.072 g/mol  logS: -2.01593  SlogP: 3.0792  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0747578  Sterimol/B1: 2.63679  Sterimol/B2: 2.70144  Sterimol/B3: 2.7571
  Sterimol/B4: 3.4837  Sterimol/L: 12.7137 
 
 Surface and Volume Properties
  Accessible surface: 361.55  Positive charged surface: 104.483  Negative charged surface: 257.068  Volume: 155.25
  Hydrophobic surface: 9.41376  Hydrophilic surface: 352.13624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03129120
PUBCHEM-ZINC04529606