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ACROSORGANICS-ZINC00056519

 MMsINC code: MMs00003194
Type: Neutral
Formula: C8H2F4O4
SMILES:   Fc1c(C(O)=O)c(C(O)=O)c(F)c(F)c1F
InChI:   InChI=1/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=16.9533 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: 0.0911402  Sterimol/B1: 2.91276  Sterimol/B2: 3.09334  Sterimol/B3: 3.52047
  Sterimol/B4: 4.92073  Sterimol/L: 9.07754 
 
 Surface and Volume Properties
  Accessible surface: 353.039  Positive charged surface: 128.245  Negative charged surface: 224.794  Volume: 152.875
  Hydrophobic surface: 181.029  Hydrophilic surface: 172.01
 
 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


MMs00003195
ACROSORGANICS-ZINC00056519