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PUBCHEM-ZINC02760836

MMsINC code: MMs02918505

Type: Neutral
Formula: C22H20FNO3
SMILES:   Fc1ccccc1CNC(=O)c1ccc(cc1)COc1cc(OC)ccc1
InChI:   InChI=1/C22H20FNO3/c1-26-19-6-4-7-20(13-19)27-15-16-9-11-17(12-10-16)22(25)24-14-18-5-2-3-8-21(18)23/h2-13H,14-15H2,1H3,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=84.5848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.404 g/mol  logS: -5.46255  SlogP: 4.8761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468485  Sterimol/B1: 2.60493  Sterimol/B2: 2.68901  Sterimol/B3: 5.13389
  Sterimol/B4: 6.63448  Sterimol/L: 20.4398 
 
 Surface and Volume Properties
  Accessible surface: 668.887  Positive charged surface: 399.181  Negative charged surface: 269.706  Volume: 352
  Hydrophobic surface: 605.119  Hydrophilic surface: 63.768
 
 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.