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PUBCHEM-ZINC01999172

 MMsINC code: MMs02841656
Type: Neutral
Formula: C6H12F2O2
SMILES:   FCCOCCOCCF
InChI:   InChI=1/C6H12F2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.156 g/mol  logS: -0.5232  SlogP: 0.9586  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0838496  Sterimol/B1: 2.39646  Sterimol/B2: 2.82052  Sterimol/B3: 3.42466
  Sterimol/B4: 4.8407  Sterimol/L: 11.8067 
 
 Surface and Volume Properties
  Accessible surface: 369.022  Positive charged surface: 288.706  Negative charged surface: 80.3157  Volume: 143.375
  Hydrophobic surface: 288.706  Hydrophilic surface: 80.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.