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CHEMBRIDGE-ZINC01799547

 MMsINC code: MMs00698130
Type: Neutral
Formula: C19H23NO4
SMILES:   O(CC(=O)Nc1ccc(OCCCC)cc1)c1ccccc1OC
InChI:   InChI=1/C19H23NO4/c1-3-4-13-23-16-11-9-15(10-12-16)20-19(21)14-24-18-8-6-5-7-17(18)22-2/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -4.57665  SlogP: 3.8916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0116593  Sterimol/B1: 2.74743  Sterimol/B2: 3.37843  Sterimol/B3: 4.8633
  Sterimol/B4: 5.05182  Sterimol/L: 22.1821 
 
 Surface and Volume Properties
  Accessible surface: 648.357  Positive charged surface: 455.294  Negative charged surface: 193.062  Volume: 330.5
  Hydrophobic surface: 556.874  Hydrophilic surface: 91.483
 
 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.