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PUBCHEM-ZINC05113640

 MMsINC code: MMs03201844
Type: Neutral
Formula: C6H8F6O
SMILES:   FC(F)(F)CCOCCC(F)(F)F
InChI:   InChI=1/C6H8F6O/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.6483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.117 g/mol  logS: -2.3027  SlogP: 3.7476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670753  Sterimol/B1: 2.1137  Sterimol/B2: 2.63847  Sterimol/B3: 2.63887
  Sterimol/B4: 3.13714  Sterimol/L: 12.6012 
 
 Surface and Volume Properties
  Accessible surface: 363.237  Positive charged surface: 145.453  Negative charged surface: 217.784  Volume: 148.375
  Hydrophobic surface: 146.418  Hydrophilic surface: 216.819
 
 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.