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ENAMINE-ZINC03408938

MMsINC code: MMs01424465

Type: Neutral
Formula: C22H18F3NO2
SMILES:   FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C22H18F3NO2/c1-28-18-12-6-15(7-13-18)14-26-21(27)20-5-3-2-4-19(20)16-8-10-17(11-9-16)22(23,24)25/h2-13H,14H2,1H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=110.32 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.385 g/mol  logS: -6.83222  SlogP: 5.8889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582266  Sterimol/B1: 2.55491  Sterimol/B2: 4.84707  Sterimol/B3: 5.17993
  Sterimol/B4: 7.01594  Sterimol/L: 18.6593 
 
 Surface and Volume Properties
  Accessible surface: 646.874  Positive charged surface: 346.184  Negative charged surface: 297.844  Volume: 347.625
  Hydrophobic surface: 506.433  Hydrophilic surface: 140.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.