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PUBCHEM-ZINC02561347

 MMsINC code: MMs02901126
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-/m0/s1

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Potential Energy
Epot(MMFF94)=28.483 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: 0.217477  Sterimol/B1: 2.85049  Sterimol/B2: 4.39481  Sterimol/B3: 4.48816
  Sterimol/B4: 6.18134  Sterimol/L: 10.368 
 
 Surface and Volume Properties
  Accessible surface: 404.881  Positive charged surface: 223.423  Negative charged surface: 181.459  Volume: 180.375
  Hydrophobic surface: 196.723  Hydrophilic surface: 208.158
 
 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.