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APOLLO-ZINC02560152

 MMsINC code: MMs00053784
Type: Neutral
Formula: C8H3F5O2
SMILES:   Fc1c(F)c(ccc1C(O)=O)C(F)(F)F
InChI:   InChI=1/C8H3F5O2/c9-5-3(7(14)15)1-2-4(6(5)10)8(11,12)13/h1-2H,(H,14,15)

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Potential Energy
Epot(MMFF94)=27.3457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.1 g/mol  logS: -3.00079  SlogP: 2.9933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241674  Sterimol/B1: 2.54671  Sterimol/B2: 2.63713  Sterimol/B3: 2.64001
  Sterimol/B4: 5.12496  Sterimol/L: 10.7716 
 
 Surface and Volume Properties
  Accessible surface: 337.659  Positive charged surface: 110.258  Negative charged surface: 227.401  Volume: 150.375
  Hydrophobic surface: 145.974  Hydrophilic surface: 191.685
 
 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


MMs00053785
APOLLO-ZINC02560152