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ACROSORGANICS-ZINC00056732

 MMsINC code: MMs00003294
Type: Neutral
Formula: C8H2F4O4
SMILES:   Fc1c(C(O)=O)c(F)c(F)c(F)c1C(O)=O
InChI:   InChI=1/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=16.4177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.092 g/mol  logS: -2.5036  SlogP: 1.6394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656186  Sterimol/B1: 2.97638  Sterimol/B2: 3.23948  Sterimol/B3: 3.5484
  Sterimol/B4: 4.93797  Sterimol/L: 10.6251 
 
 Surface and Volume Properties
  Accessible surface: 359.525  Positive charged surface: 129.054  Negative charged surface: 230.471  Volume: 154.25
  Hydrophobic surface: 171.567  Hydrophilic surface: 187.958
 
 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


MMs00003295
ACROSORGANICS-ZINC00056732