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CHEMBRIDGE-ZINC01751698

MMsINC code: MMs00695506

Type: Neutral
Formula: C21H19F3N2O3
SMILES:   FC(F)(F)c1cc(NC(=O)CCCCCN2C(=O)c3c(cccc3)C2=O)ccc1
InChI:   InChI=1/C21H19F3N2O3/c22-21(23,24)14-7-6-8-15(13-14)25-18(27)11-2-1-5-12-26-19(28)16-9-3-4-10-17(16)20(26)29/h3-4,6-10,13H,1-2,5,11-12H2,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=70.6948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.388 g/mol  logS: -5.47494  SlogP: 4.812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358367  Sterimol/B1: 3.09187  Sterimol/B2: 3.40164  Sterimol/B3: 5.17952
  Sterimol/B4: 5.22374  Sterimol/L: 21.9344 
 
 Surface and Volume Properties
  Accessible surface: 676.351  Positive charged surface: 351.403  Negative charged surface: 324.948  Volume: 354.625
  Hydrophobic surface: 455.061  Hydrophilic surface: 221.29
 
 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.