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ASINEX-ZINC04719225

 MMsINC code: MMs00365091
Type: Neutral
Formula: C20H19F5N2O
SMILES:   FC(F)(C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(F)(F)F
InChI:   InChI=1/C20H19F5N2O/c21-19(22,20(23,24)25)18(28)27-13-11-26(12-14-27)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.375 g/mol  logS: -5.02598  SlogP: 5.0531  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123612  Sterimol/B1: 2.28475  Sterimol/B2: 3.48983  Sterimol/B3: 4.22999
  Sterimol/B4: 9.33776  Sterimol/L: 14.8707 
 
 Surface and Volume Properties
  Accessible surface: 595.717  Positive charged surface: 295.664  Negative charged surface: 300.053  Volume: 339.125
  Hydrophobic surface: 424.459  Hydrophilic surface: 171.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00365092
ASINEX-ZINC04719225