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PUBCHEM-ZINC05287084

 MMsINC code: MMs03233742
Type: Neutral
Formula: C4H5F6O4P
SMILES:   P(OCC(F)(F)F)(OCC(F)(F)F)(O)=O
InChI:   InChI=1/C4H5F6O4P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2,(H,11,12)

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Potential Energy
Epot(MMFF94)=-5.85771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.042 g/mol  logS: -1.68674  SlogP: 2.0142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0880047  Sterimol/B1: 3.29174  Sterimol/B2: 3.31236  Sterimol/B3: 3.53203
  Sterimol/B4: 3.7505  Sterimol/L: 12.8814 
 
 Surface and Volume Properties
  Accessible surface: 392.128  Positive charged surface: 114.126  Negative charged surface: 278.002  Volume: 151.75
  Hydrophobic surface: 73.2394  Hydrophilic surface: 318.8886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03233743
PUBCHEM-ZINC05287084