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APOLLO-ZINC02019801

 MMsINC code: MMs00050126
Type: Neutral
Formula: C4H4F6O
SMILES:   FC(F)(F)C(OC)C(F)(F)F
InChI:   InChI=1/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3

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Potential Energy
Epot(MMFF94)=30.8937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.063 g/mol  logS: -1.89916  SlogP: 2.9658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207952  Sterimol/B1: 2.81803  Sterimol/B2: 2.82507  Sterimol/B3: 3.51098
  Sterimol/B4: 3.95344  Sterimol/L: 8.38863 
 
 Surface and Volume Properties
  Accessible surface: 288.128  Positive charged surface: 103.088  Negative charged surface: 185.04  Volume: 109.625
  Hydrophobic surface: 93.7865  Hydrophilic surface: 194.3415
 
 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.