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IBS-ZINC01856219

 MMsINC code: MMs01778961
Type: Neutral
Formula: C6H9F6O3P
SMILES:   P(OC(C(F)(F)F)C(F)(F)F)(OCC)(=O)C
InChI:   InChI=1/C6H9F6O3P/c1-3-14-16(2,13)15-4(5(7,8)9)6(10,11)12/h4H,3H2,1-2H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=18.3419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.097 g/mol  logS: -2.10457  SlogP: 3.1252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203305  Sterimol/B1: 2.71418  Sterimol/B2: 3.54905  Sterimol/B3: 3.54959
  Sterimol/B4: 6.65965  Sterimol/L: 10.6227 
 
 Surface and Volume Properties
  Accessible surface: 399.825  Positive charged surface: 158.454  Negative charged surface: 241.37  Volume: 181.875
  Hydrophobic surface: 149.467  Hydrophilic surface: 250.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.