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APOLLO-ZINC02379384

 MMsINC code: MMs00051501
Type: Neutral
Formula: C4H3F7O
SMILES:   FC(F)(C(F)(F)OC)C(F)(F)F
InChI:   InChI=1/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3

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Potential Energy
Epot(MMFF94)=29.4118 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: 0.143447  Sterimol/B1: 2.62709  Sterimol/B2: 2.63833  Sterimol/B3: 2.63871
  Sterimol/B4: 2.91951  Sterimol/L: 9.84765 
 
 Surface and Volume Properties
  Accessible surface: 296.547  Positive charged surface: 93.1112  Negative charged surface: 203.436  Volume: 111.875
  Hydrophobic surface: 88.3562  Hydrophilic surface: 208.1908
 
 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.