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MAYBRIDGE-ZINC04336756

 MMsINC code: MMs02168893
Type: Neutral
Formula: C17H15F6N3O2
SMILES:   FC(F)(F)C(NC(=O)c1ccc(OC)cc1)(NCc1cccnc1)C(F)(F)F
InChI:   InChI=1/C17H15F6N3O2/c1-28-13-6-4-12(5-7-13)14(27)26-15(16(18,19)20,17(21,22)23)25-10-11-3-2-8-24-9-11/h2-9,25H,10H2,1H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.314 g/mol  logS: -4.08003  SlogP: 4.5369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0853903  Sterimol/B1: 3.24664  Sterimol/B2: 4.339  Sterimol/B3: 4.81804
  Sterimol/B4: 5.92514  Sterimol/L: 17.2193 
 
 Surface and Volume Properties
  Accessible surface: 580.155  Positive charged surface: 306.792  Negative charged surface: 273.363  Volume: 319.125
  Hydrophobic surface: 380.039  Hydrophilic surface: 200.116
 
 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.