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APOLLO-ZINC02576918

 MMsINC code: MMs00055121
Type: Neutral
Formula: C3H3F5O
SMILES:   FC(F)COC(F)(F)F
InChI:   InChI=1/C3H3F5O/c4-2(5)1-9-3(6,7)8/h2H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.8186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.046 g/mol  logS: -1.40024  SlogP: 2.6277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174903  Sterimol/B1: 2.09966  Sterimol/B2: 2.63842  Sterimol/B3: 2.6388
  Sterimol/B4: 3.21208  Sterimol/L: 8.29826 
 
 Surface and Volume Properties
  Accessible surface: 264.767  Positive charged surface: 80.4077  Negative charged surface: 184.359  Volume: 89.875
  Hydrophobic surface: 58.0532  Hydrophilic surface: 206.7138
 
 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.