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PUBCHEM-ZINC05522103

 MMsINC code: MMs03296299
Type: Neutral
Formula: C20H21FN2O3
SMILES:   Fc1ccc(cc1)CC(=O)N1CCN(CC1)Cc1cc2OCOc2cc1
InChI:   InChI=1/C20H21FN2O3/c21-17-4-1-15(2-5-17)12-20(24)23-9-7-22(8-10-23)13-16-3-6-18-19(11-16)26-14-25-18/h1-6,11H,7-10,12-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.397 g/mol  logS: -3.5512  SlogP: 2.70767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632423  Sterimol/B1: 2.55634  Sterimol/B2: 3.42057  Sterimol/B3: 4.8073
  Sterimol/B4: 5.31443  Sterimol/L: 19.9744 
 
 Surface and Volume Properties
  Accessible surface: 610.987  Positive charged surface: 416.296  Negative charged surface: 194.691  Volume: 331.875
  Hydrophobic surface: 520.379  Hydrophilic surface: 90.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs03296300
PUBCHEM-ZINC05522103