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ACROSORGANICS-ZINC02003940

 MMsINC code: MMs00012262
Type: Neutral
Formula: C4H4F6O
SMILES:   FC(F)(F)C(O)(C(F)(F)F)C
InChI:   InChI=1/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.0286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.063 g/mol  logS: -1.88119  SlogP: 2.7018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.620181  Sterimol/B1: 3.33212  Sterimol/B2: 3.35844  Sterimol/B3: 3.87949
  Sterimol/B4: 3.89584  Sterimol/L: 6.97353 
 
 Surface and Volume Properties
  Accessible surface: 274.261  Positive charged surface: 73.1702  Negative charged surface: 201.091  Volume: 107.5
  Hydrophobic surface: 44.2477  Hydrophilic surface: 230.0133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.