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ENAMINE-ZINC00292168

 MMsINC code: MMs01228156
Type: Tautomer
Formula: C19H23FN2O3
SMILES:   Fc1ccccc1N1CCN(CC1)Cc1cc(OC)c(O)c(OC)c1
InChI:   InChI=1/C19H23FN2O3/c1-24-17-11-14(12-18(25-2)19(17)23)13-21-7-9-22(10-8-21)16-6-4-3-5-15(16)20/h3-6,11-12,23H,7-10,13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=174.447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.402 g/mol  logS: -3.16071  SlogP: 3.1371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117613  Sterimol/B1: 2.41658  Sterimol/B2: 3.53646  Sterimol/B3: 4.7127
  Sterimol/B4: 9.36596  Sterimol/L: 16.3955 
 
 Surface and Volume Properties
  Accessible surface: 609.428  Positive charged surface: 458.824  Negative charged surface: 150.605  Volume: 327.875
  Hydrophobic surface: 528.162  Hydrophilic surface: 81.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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Parent related molecule:


MMs01228155
ENAMINE-ZINC00292168