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APOLLO-ZINC02560092

 MMsINC code: MMs00053747
Type: Neutral
Formula: C4H4F6O
SMILES:   FC(F)(COC(F)F)C(F)F
InChI:   InChI=1/C4H4F6O/c5-2(6)4(9,10)1-11-3(7)8/h2-3H,1H2

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Potential Energy
Epot(MMFF94)=29.3536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.063 g/mol  logS: -1.0485  SlogP: 3.3857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160871  Sterimol/B1: 2.46557  Sterimol/B2: 2.5565  Sterimol/B3: 3.30467
  Sterimol/B4: 3.895  Sterimol/L: 9.10468 
 
 Surface and Volume Properties
  Accessible surface: 294.348  Positive charged surface: 97.5678  Negative charged surface: 196.78  Volume: 111.25
  Hydrophobic surface: 72.0136  Hydrophilic surface: 222.3344
 
 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.