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PUBCHEM-ZINC05713014

 MMsINC code: MMs03355811
Type: Neutral
Formula: C12H22F3O6P
SMILES:   P(OC(C(OC)=O)C(F)(F)F)(OCCCC)(OCCCC)=O
InChI:   InChI=1/C12H22F3O6P/c1-4-6-8-19-22(17,20-9-7-5-2)21-10(11(16)18-3)12(13,14)15/h10H,4-9H2,1-3H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.46544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.27 g/mol  logS: -3.4455  SlogP: 3.1981  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0644998  Sterimol/B1: 2.22746  Sterimol/B2: 3.5378  Sterimol/B3: 3.89128
  Sterimol/B4: 10.828  Sterimol/L: 16.4729 
 
 Surface and Volume Properties
  Accessible surface: 607.199  Positive charged surface: 390.557  Negative charged surface: 216.642  Volume: 296
  Hydrophobic surface: 401.788  Hydrophilic surface: 205.411
 
 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.