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ACROSORGANICS-ZINC00057042

 MMsINC code: MMs00003368
Type: Neutral
Formula: C8H4F4O2
SMILES:   Fc1cc(ccc1C(F)(F)F)C(O)=O
InChI:   InChI=1/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.5089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.11 g/mol  logS: -2.70581  SlogP: 2.8542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242622  Sterimol/B1: 2.45423  Sterimol/B2: 2.63733  Sterimol/B3: 2.6398
  Sterimol/B4: 5.19382  Sterimol/L: 10.8017 
 
 Surface and Volume Properties
  Accessible surface: 335.888  Positive charged surface: 114.173  Negative charged surface: 221.715  Volume: 147.25
  Hydrophobic surface: 141.026  Hydrophilic surface: 194.862
 
 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


MMs00003369
ACROSORGANICS-ZINC00057042