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PEAKDALE-ZINC01503440

 MMsINC code: MMs02613241
Type: Neutral
Formula: C18H16F6N2O2
SMILES:   FC(F)(F)c1cc(nc(Oc2ccc(NC(=O)C(C)(C)C)cc2)c1)C(F)(F)F
InChI:   InChI=1/C18H16F6N2O2/c1-16(2,3)15(27)25-11-4-6-12(7-5-11)28-14-9-10(17(19,20)21)8-13(26-14)18(22,23)24/h4-9H,1-3H3,(H,25,27)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.07 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.326 g/mol  logS: -5.30149  SlogP: 6.5191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547922  Sterimol/B1: 2.11715  Sterimol/B2: 4.15407  Sterimol/B3: 4.68902
  Sterimol/B4: 5.1541  Sterimol/L: 17.7472 
 
 Surface and Volume Properties
  Accessible surface: 616.513  Positive charged surface: 265.07  Negative charged surface: 351.443  Volume: 328.125
  Hydrophobic surface: 328.29  Hydrophilic surface: 288.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.