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ACROSORGANICS-ZINC01847426

 MMsINC code: MMs00012057
Type: Neutral
Formula: C5H5F5O2
SMILES:   FC(F)(C(OCC)=O)C(F)(F)F
InChI:   InChI=1/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.083 g/mol  logS: -2.11225  SlogP: 2.5869  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0826568  Sterimol/B1: 2.8766  Sterimol/B2: 2.90222  Sterimol/B3: 3.11863
  Sterimol/B4: 3.48506  Sterimol/L: 11.0813 
 
 Surface and Volume Properties
  Accessible surface: 327.591  Positive charged surface: 119.576  Negative charged surface: 208.016  Volume: 127
  Hydrophobic surface: 106.204  Hydrophilic surface: 221.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.