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PUBCHEM-ZINC02009396

 MMsINC code: MMs02848267
Type: Neutral
Formula: C4H3F7O
SMILES:   FC(F)(C(F)OC(F)F)C(F)F
InChI:   InChI=1/C4H3F7O/c5-1(6)4(10,11)2(7)12-3(8)9/h1-3H/t2-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.7347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.053 g/mol  logS: -1.25292  SlogP: 4.1012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136684  Sterimol/B1: 2.73821  Sterimol/B2: 2.85387  Sterimol/B3: 3.18473
  Sterimol/B4: 3.42803  Sterimol/L: 9.8374 
 
 Surface and Volume Properties
  Accessible surface: 298.314  Positive charged surface: 81.2905  Negative charged surface: 217.023  Volume: 112.5
  Hydrophobic surface: 51.4593  Hydrophilic surface: 246.8547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.