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PUBCHEM-ZINC05859423

 MMsINC code: MMs03421463
Type: Neutral
Formula: C7H13F4O4P
SMILES:   P(OCC)(OCC)(=O)C(O)(C(F)F)C(F)F
InChI:   InChI=1/C7H13F4O4P/c1-3-14-16(13,15-4-2)7(12,5(8)9)6(10)11/h5-6,12H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.8653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.143 g/mol  logS: -1.17544  SlogP: 2.2409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214889  Sterimol/B1: 2.44444  Sterimol/B2: 3.17378  Sterimol/B3: 4.23343
  Sterimol/B4: 7.66659  Sterimol/L: 11.0063 
 
 Surface and Volume Properties
  Accessible surface: 424.068  Positive charged surface: 239.696  Negative charged surface: 184.371  Volume: 201.875
  Hydrophobic surface: 201.387  Hydrophilic surface: 222.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.