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ACROSORGANICS-ZINC00226731

 MMsINC code: MMs00006519
Type: Neutral
Formula: C7H2F4O2
SMILES:   Fc1c(C(O)=O)c(F)c(F)cc1F
InChI:   InChI=1/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.4253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.083 g/mol  logS: -2.5342  SlogP: 1.9412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515995  Sterimol/B1: 2.56832  Sterimol/B2: 3.16416  Sterimol/B3: 3.87826
  Sterimol/B4: 3.87926  Sterimol/L: 9.8263 
 
 Surface and Volume Properties
  Accessible surface: 313.345  Positive charged surface: 111.022  Negative charged surface: 202.323  Volume: 130.125
  Hydrophobic surface: 219.462  Hydrophilic surface: 93.883
 
 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


MMs00006520
ACROSORGANICS-ZINC00226731