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ACROSORGANICS-ZINC00156497

 MMsINC code: MMs00005431
Type: Neutral
Formula: C8H5F3O2
SMILES:   FC(F)(F)c1ccccc1C(O)=O
InChI:   InChI=1/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.3858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.12 g/mol  logS: -2.41083  SlogP: 2.7151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397373  Sterimol/B1: 2.63077  Sterimol/B2: 2.63707  Sterimol/B3: 2.64005
  Sterimol/B4: 6.11259  Sterimol/L: 9.59567 
 
 Surface and Volume Properties
  Accessible surface: 327.221  Positive charged surface: 129.99  Negative charged surface: 197.231  Volume: 143.125
  Hydrophobic surface: 156.204  Hydrophilic surface: 171.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00005432
ACROSORGANICS-ZINC00156497