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ENAMINE-ZINC03548173

 MMsINC code: MMs01501922
Type: Neutral
Formula: C19H23NO4
SMILES:   O(CCCC(=O)Nc1ccc(OC)cc1)c1ccccc1OCC
InChI:   InChI=1/C19H23NO4/c1-3-23-17-7-4-5-8-18(17)24-14-6-9-19(21)20-15-10-12-16(22-2)13-11-15/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -3.94335  SlogP: 3.8916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132941  Sterimol/B1: 2.08564  Sterimol/B2: 2.87974  Sterimol/B3: 3.15364
  Sterimol/B4: 8.93095  Sterimol/L: 20.5138 
 
 Surface and Volume Properties
  Accessible surface: 652.615  Positive charged surface: 460.589  Negative charged surface: 192.026  Volume: 330.75
  Hydrophobic surface: 564.736  Hydrophilic surface: 87.879
 
 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.