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PUBCHEM-ZINC06079870

 MMsINC code: MMs03532479
Type: Neutral
Formula: C14H9F6N3O2
SMILES:   FC(F)(F)c1ccc(nc1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChI:   InChI=1/C14H9F6N3O2/c15-13(16,17)8-1-6-11(21-7-8)23-12(24)22-9-2-4-10(5-3-9)25-14(18,19)20/h1-7H,(H2,21,22,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.6441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.233 g/mol  logS: -4.55105  SlogP: 5.3744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204138  Sterimol/B1: 2.097  Sterimol/B2: 3.39821  Sterimol/B3: 4.09373
  Sterimol/B4: 4.60351  Sterimol/L: 18.1099 
 
 Surface and Volume Properties
  Accessible surface: 537.976  Positive charged surface: 214.386  Negative charged surface: 323.59  Volume: 267.25
  Hydrophobic surface: 242.461  Hydrophilic surface: 295.515
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.