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MAYBRIDGE-ZINC00057040

 MMsINC code: MMs02126684
Type: Neutral
Formula: C8H4F4O2
SMILES:   Fc1ccc(cc1C(O)=O)C(F)(F)F
InChI:   InChI=1/C8H4F4O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.6705 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: 0.0306692  Sterimol/B1: 2.63727  Sterimol/B2: 2.63887  Sterimol/B3: 3.41804
  Sterimol/B4: 4.66597  Sterimol/L: 10.3071 
 
 Surface and Volume Properties
  Accessible surface: 336.072  Positive charged surface: 117.341  Negative charged surface: 218.731  Volume: 148.25
  Hydrophobic surface: 140.124  Hydrophilic surface: 195.948
 
 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


MMs02126685
MAYBRIDGE-ZINC00057040