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APOLLO-ZINC02168781

 MMsINC code: MMs00050932
Type: Neutral
Formula: C6H6F4O4
SMILES:   FC(F)(C(F)(F)C(OC)=O)C(OC)=O
InChI:   InChI=1/C6H6F4O4/c1-13-3(11)5(7,8)6(9,10)4(12)14-2/h1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.2172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.102 g/mol  logS: -1.81356  SlogP: 1.4428  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.052091  Sterimol/B1: 2.18027  Sterimol/B2: 2.84069  Sterimol/B3: 2.92814
  Sterimol/B4: 3.09802  Sterimol/L: 12.9362 
 
 Surface and Volume Properties
  Accessible surface: 365.678  Positive charged surface: 202.743  Negative charged surface: 162.934  Volume: 149.5
  Hydrophobic surface: 186.007  Hydrophilic surface: 179.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.