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PUBCHEM-ZINC02569908

 MMsINC code: MMs02902540
Type: Neutral
Formula: C11H8F6O2
SMILES:   FC(F)(F)c1ccc(cc1CCC(O)=O)C(F)(F)F
InChI:   InChI=1/C11H8F6O2/c12-10(13,14)7-2-3-8(11(15,16)17)6(5-7)1-4-9(18)19/h2-3,5H,1,4H2,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.4467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.171 g/mol  logS: -3.41077  SlogP: 4.36437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0865  Sterimol/B1: 2.53509  Sterimol/B2: 3.25483  Sterimol/B3: 4.41373
  Sterimol/B4: 4.84066  Sterimol/L: 12.8028 
 
 Surface and Volume Properties
  Accessible surface: 418.382  Positive charged surface: 132.859  Negative charged surface: 285.523  Volume: 203.375
  Hydrophobic surface: 136.298  Hydrophilic surface: 282.084
 
 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


MMs02902541
PUBCHEM-ZINC02569908