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PUBCHEM-ZINC03183383

 MMsINC code: MMs03005839
Type: Neutral
Formula: C6H10F3O6P
SMILES:   P(OC(C(OC)=O)C(F)(F)F)(OC)(OC)=O
InChI:   InChI=1/C6H10F3O6P/c1-12-5(10)4(6(7,8)9)15-16(11,13-2)14-3/h4H,1-3H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.86319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.108 g/mol  logS: -1.3571  SlogP: 0.8575  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0681663  Sterimol/B1: 2.80767  Sterimol/B2: 3.23375  Sterimol/B3: 3.41637
  Sterimol/B4: 5.93872  Sterimol/L: 12.8425 
 
 Surface and Volume Properties
  Accessible surface: 422.287  Positive charged surface: 261.202  Negative charged surface: 161.086  Volume: 192
  Hydrophobic surface: 252.226  Hydrophilic surface: 170.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.