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CHEMBRIDGE-ZINC00436837

 MMsINC code: MMs00614635
Type: Neutral
Formula: C19H23NO4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)c1ccc(OCC)cc1
InChI:   InChI=1/C19H23NO4/c1-4-24-16-8-6-15(7-9-16)19(21)20-12-11-14-5-10-17(22-2)18(13-14)23-3/h5-10,13H,4,11-12H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -3.83873  SlogP: 3.07497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.045503  Sterimol/B1: 2.50849  Sterimol/B2: 4.05503  Sterimol/B3: 5.41406
  Sterimol/B4: 5.56563  Sterimol/L: 21.2226 
 
 Surface and Volume Properties
  Accessible surface: 645.528  Positive charged surface: 466.091  Negative charged surface: 179.437  Volume: 333.375
  Hydrophobic surface: 553.559  Hydrophilic surface: 91.969
 
 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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Ions/Tautomers related molecules: no related molecules available.