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CHEMBLOCK-ZINC01423831

 MMsINC code: MMs00519909
Type: Neutral
Formula: C19H16F3N3O2
SMILES:   FC(F)(F)c1n(nc(c1)C)-c1ccc(NC(=O)c2cc(OC)ccc2)cc1
InChI:   InChI=1/C19H16F3N3O2/c1-12-10-17(19(20,21)22)25(24-12)15-8-6-14(7-9-15)23-18(26)13-4-3-5-16(11-13)27-2/h3-11H,1-2H3,(H,23,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.35 g/mol  logS: -5.08202  SlogP: 4.77192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129727  Sterimol/B1: 2.43895  Sterimol/B2: 2.54308  Sterimol/B3: 3.24292
  Sterimol/B4: 6.71251  Sterimol/L: 19.741 
 
 Surface and Volume Properties
  Accessible surface: 618.352  Positive charged surface: 329.23  Negative charged surface: 289.122  Volume: 326.625
  Hydrophobic surface: 463.114  Hydrophilic surface: 155.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.