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PUBCHEM-ZINC06678126

 MMsINC code: MMs03837457
Type: Neutral
Formula: C6H9F6O3P
SMILES:   P(OCC(F)(F)F)(OCC(F)(F)F)(=O)CC
InChI:   InChI=1/C6H9F6O3P/c1-2-16(13,14-3-5(7,8)9)15-4-6(10,11)12/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.3386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.097 g/mol  logS: -2.10457  SlogP: 3.1268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238256  Sterimol/B1: 2.42932  Sterimol/B2: 2.56541  Sterimol/B3: 5.00289
  Sterimol/B4: 7.25346  Sterimol/L: 10.9605 
 
 Surface and Volume Properties
  Accessible surface: 423.661  Positive charged surface: 147.762  Negative charged surface: 275.9  Volume: 181.625
  Hydrophobic surface: 143.308  Hydrophilic surface: 280.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.