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OAKWOOD-ZINC04269618

 MMsINC code: MMs02550745
Type: Neutral
Formula: C7H5F5O2
SMILES:   FC(F)(C(O)c1occc1)C(F)(F)F
InChI:   InChI=1/C7H5F5O2/c8-6(9,7(10,11)12)5(13)4-2-1-3-14-4/h1-3,5,13H/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.0174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.105 g/mol  logS: -2.6938  SlogP: 3.4459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123316  Sterimol/B1: 2.81362  Sterimol/B2: 3.05004  Sterimol/B3: 3.31083
  Sterimol/B4: 3.67072  Sterimol/L: 10.5956 
 
 Surface and Volume Properties
  Accessible surface: 340.836  Positive charged surface: 100.958  Negative charged surface: 239.878  Volume: 147
  Hydrophobic surface: 150.857  Hydrophilic surface: 189.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.