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CHEMBLOCK-ZINC04594520

 MMsINC code: MMs00560638
Type: Neutral
Formula: C11H11F3O5
SMILES:   FC(F)(F)C(O)(C(O)=O)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C11H11F3O5/c1-18-7-4-3-6(5-8(7)19-2)10(17,9(15)16)11(12,13)14/h3-5,17H,1-2H3,(H,15,16)/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.9064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.198 g/mol  logS: -2.33549  SlogP: 2.2697  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.134402  Sterimol/B1: 2.21775  Sterimol/B2: 3.38782  Sterimol/B3: 4.20408
  Sterimol/B4: 7.32078  Sterimol/L: 12.3699 
 
 Surface and Volume Properties
  Accessible surface: 438.473  Positive charged surface: 262.448  Negative charged surface: 176.025  Volume: 217.75
  Hydrophobic surface: 227.793  Hydrophilic surface: 210.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs00560639
CHEMBLOCK-ZINC04594520