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ENAMINE-ZINC03490086

 MMsINC code: MMs01470793
Type: Neutral
Formula: C20H19F3N2O4
SMILES:   FC(F)(F)CNC(=O)COC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H19F3N2O4/c21-20(22,23)13-24-17(26)12-29-18(27)11-16(14-7-3-1-4-8-14)25-19(28)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,24,26)(H,25,28)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.6764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.376 g/mol  logS: -4.84456  SlogP: 3.2849  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0663828  Sterimol/B1: 2.39622  Sterimol/B2: 3.31883  Sterimol/B3: 4.23752
  Sterimol/B4: 11.2198  Sterimol/L: 17.7702 
 
 Surface and Volume Properties
  Accessible surface: 691.441  Positive charged surface: 349.518  Negative charged surface: 341.923  Volume: 356.25
  Hydrophobic surface: 472.48  Hydrophilic surface: 218.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.