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IBS-ZINC02375170

 MMsINC code: MMs01846899
Type: Neutral
Formula: C15H13F6N3O
SMILES:   FC(F)(F)C(NC(=O)Nc1c2c(nc(cc2)C)ccc1)(C(F)(F)F)C
InChI:   InChI=1/C15H13F6N3O/c1-8-6-7-9-10(22-8)4-3-5-11(9)23-12(25)24-13(2,14(16,17)18)15(19,20)21/h3-7H,1-2H3,(H2,23,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.5719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.277 g/mol  logS: -4.82331  SlogP: 5.38782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501776  Sterimol/B1: 2.95578  Sterimol/B2: 3.3338  Sterimol/B3: 3.58814
  Sterimol/B4: 6.69425  Sterimol/L: 15.7022 
 
 Surface and Volume Properties
  Accessible surface: 524.869  Positive charged surface: 232.011  Negative charged surface: 287.967  Volume: 281
  Hydrophobic surface: 294.728  Hydrophilic surface: 230.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.