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CHEMBLOCK-ZINC06668418

 MMsINC code: MMs00582659
Type: Neutral
Formula: C19H15F3N2O3
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)NCc1onc(c1)-c1ccc(OC)cc1
InChI:   InChI=1/C19H15F3N2O3/c1-26-15-8-4-12(5-9-15)17-10-16(27-24-17)11-23-18(25)13-2-6-14(7-3-13)19(20,21)22/h2-10H,11H2,1H3,(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.3621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.334 g/mol  logS: -5.60029  SlogP: 4.8769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475497  Sterimol/B1: 2.28947  Sterimol/B2: 2.87942  Sterimol/B3: 5.00079
  Sterimol/B4: 6.93224  Sterimol/L: 19.9761 
 
 Surface and Volume Properties
  Accessible surface: 624.273  Positive charged surface: 305.658  Negative charged surface: 318.614  Volume: 320.375
  Hydrophobic surface: 430.114  Hydrophilic surface: 194.159
 
 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.