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APOLLO-ZINC02530869

 MMsINC code: MMs00052992
Type: Neutral
Formula: C5H4F6O
SMILES:   FC(F)(C(=O)C)C(F)C(F)(F)F
InChI:   InChI=1/C5H4F6O/c1-2(12)4(7,8)3(6)5(9,10)11/h3H,1H3/t3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.6479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.074 g/mol  logS: -2.03927  SlogP: 3.3708  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.183819  Sterimol/B1: 2.34021  Sterimol/B2: 3.05313  Sterimol/B3: 3.34435
  Sterimol/B4: 4.06551  Sterimol/L: 8.93663 
 
 Surface and Volume Properties
  Accessible surface: 300.551  Positive charged surface: 73.86  Negative charged surface: 226.691  Volume: 119.75
  Hydrophobic surface: 82.515  Hydrophilic surface: 218.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.