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CHEMBRIDGE-ZINC00434317

 MMsINC code: MMs00613903
Type: Neutral
Formula: C19H23NO4
SMILES:   O(CC)c1cc(ccc1OCC)C(=O)Nc1ccc(OCC)cc1
InChI:   InChI=1/C19H23NO4/c1-4-22-16-10-8-15(9-11-16)20-19(21)14-7-12-17(23-5-2)18(13-14)24-6-3/h7-13H,4-6H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.9265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -4.48764  SlogP: 4.135  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166312  Sterimol/B1: 2.64057  Sterimol/B2: 3.29527  Sterimol/B3: 5.13566
  Sterimol/B4: 6.01743  Sterimol/L: 19.8535 
 
 Surface and Volume Properties
  Accessible surface: 651.448  Positive charged surface: 442.566  Negative charged surface: 208.883  Volume: 330.75
  Hydrophobic surface: 525.02  Hydrophilic surface: 126.428
 
 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.