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ENAMINE-ZINC04220164

 MMsINC code: MMs01536432
Type: Neutral
Formula: C20H19F3N2O4
SMILES:   FC(F)(F)c1cc(NC(=O)COC(=O)CC(NC(=O)C)c2ccccc2)ccc1
InChI:   InChI=1/C20H19F3N2O4/c1-13(26)24-17(14-6-3-2-4-7-14)11-19(28)29-12-18(27)25-16-9-5-8-15(10-16)20(21,22)23/h2-10,17H,11-12H2,1H3,(H,24,26)(H,25,27)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.1883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.376 g/mol  logS: -4.88144  SlogP: 3.8616  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0477199  Sterimol/B1: 2.25876  Sterimol/B2: 3.03155  Sterimol/B3: 4.72962
  Sterimol/B4: 8.28305  Sterimol/L: 20.2642 
 
 Surface and Volume Properties
  Accessible surface: 679.332  Positive charged surface: 350.264  Negative charged surface: 329.068  Volume: 355.375
  Hydrophobic surface: 459.476  Hydrophilic surface: 219.856
 
 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.