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APOLLO-ZINC02379320

 MMsINC code: MMs00051488
Type: Neutral
Formula: C4H3F7O
SMILES:   FC(OC)(C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C4H3F7O/c1-12-2(5,3(6,7)8)4(9,10)11/h1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.053 g/mol  logS: -2.27881  SlogP: 3.6829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233636  Sterimol/B1: 2.88141  Sterimol/B2: 3.17598  Sterimol/B3: 3.23672
  Sterimol/B4: 3.88243  Sterimol/L: 8.42012 
 
 Surface and Volume Properties
  Accessible surface: 284.472  Positive charged surface: 83.5371  Negative charged surface: 200.935  Volume: 112.625
  Hydrophobic surface: 75.9579  Hydrophilic surface: 208.5141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.