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CHEMBRIDGE-ZINC04870053

 MMsINC code: MMs00807432
Type: Neutral
Formula: C22H22FNO2
SMILES:   Fc1ccc(cc1)COc1ccccc1CNCc1ccc(OC)cc1
InChI:   InChI=1/C22H22FNO2/c1-25-21-12-8-17(9-13-21)14-24-15-19-4-2-3-5-22(19)26-16-18-6-10-20(23)11-7-18/h2-13,24H,14-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.0273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.421 g/mol  logS: -5.05692  SlogP: 5.5023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123547  Sterimol/B1: 2.51019  Sterimol/B2: 5.12634  Sterimol/B3: 6.35442
  Sterimol/B4: 7.63963  Sterimol/L: 14.985 
 
 Surface and Volume Properties
  Accessible surface: 646.849  Positive charged surface: 413.671  Negative charged surface: 233.177  Volume: 350.375
  Hydrophobic surface: 608.463  Hydrophilic surface: 38.386
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00807433
CHEMBRIDGE-ZINC04870053