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IBS-ZINC02278497

 MMsINC code: MMs01822358
Type: Neutral
Formula: C15H18F6N2O4
SMILES:   FC(F)(F)C(NC(=O)Nc1cc(OC)c(OC)c(OC)c1)(CC)C(F)(F)F
InChI:   InChI=1/C15H18F6N2O4/c1-5-13(14(16,17)18,15(19,20)21)23-12(24)22-8-6-9(25-2)11(27-4)10(7-8)26-3/h6-7H,5H2,1-4H3,(H2,22,23,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.38 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.307 g/mol  logS: -4.27429  SlogP: 4.9471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702981  Sterimol/B1: 2.08098  Sterimol/B2: 4.40744  Sterimol/B3: 5.1546
  Sterimol/B4: 6.72992  Sterimol/L: 15.6596 
 
 Surface and Volume Properties
  Accessible surface: 574.922  Positive charged surface: 364.659  Negative charged surface: 210.263  Volume: 311.875
  Hydrophobic surface: 348.551  Hydrophilic surface: 226.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.