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CHEMBRIDGE-ZINC00185374

 MMsINC code: MMs00593909
Type: Neutral
Formula: C11H9F3O4
SMILES:   FC(F)(F)C1(Oc2c(ccc(OC)c2)C(=O)C1)O
InChI:   InChI=1/C11H9F3O4/c1-17-6-2-3-7-8(15)5-10(16,11(12,13)14)18-9(7)4-6/h2-4,16H,5H2,1H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.1573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.183 g/mol  logS: -2.75772  SlogP: 2.3312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569787  Sterimol/B1: 3.10534  Sterimol/B2: 3.24455  Sterimol/B3: 3.4028
  Sterimol/B4: 5.32999  Sterimol/L: 13.3166 
 
 Surface and Volume Properties
  Accessible surface: 418.482  Positive charged surface: 211.484  Negative charged surface: 206.997  Volume: 200.625
  Hydrophobic surface: 231.817  Hydrophilic surface: 186.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.