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PUBCHEM-ZINC03134167

 MMsINC code: MMs02999547
Type: Neutral
Formula: C6H12F3O4P
SMILES:   P(OCC)(OCC)(=O)C(O)C(F)(F)F
InChI:   InChI=1/C6H12F3O4P/c1-3-12-14(11,13-4-2)5(10)6(7,8)9/h5,10H,3-4H2,1-2H3/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=29.2867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.126 g/mol  logS: -1.02698  SlogP: 1.4829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219304  Sterimol/B1: 2.38975  Sterimol/B2: 2.86207  Sterimol/B3: 4.52501
  Sterimol/B4: 7.45882  Sterimol/L: 10.4155 
 
 Surface and Volume Properties
  Accessible surface: 407.094  Positive charged surface: 227.493  Negative charged surface: 179.602  Volume: 180.625
  Hydrophobic surface: 197.352  Hydrophilic surface: 209.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.