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PUBCHEM-ZINC02565565

 MMsINC code: MMs02901866
Type: Neutral
Formula: C5H7F6O3P
SMILES:   P(OCC(F)(F)F)(OCC(F)(F)F)(=O)C
InChI:   InChI=1/C5H7F6O3P/c1-15(12,13-2-4(6,7)8)14-3-5(9,10)11/h2-3H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.1865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.07 g/mol  logS: -1.77736  SlogP: 2.7367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153443  Sterimol/B1: 2.01409  Sterimol/B2: 2.92893  Sterimol/B3: 3.97119
  Sterimol/B4: 7.0103  Sterimol/L: 10.9609 
 
 Surface and Volume Properties
  Accessible surface: 400.198  Positive charged surface: 123.856  Negative charged surface: 276.342  Volume: 165.25
  Hydrophobic surface: 111.867  Hydrophilic surface: 288.331
 
 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.