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CHEMDIV-ZINC03480548

 MMsINC code: MMs00910637
Type: Neutral
Formula: C19H23NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)CCC(=O)NCc1ccccc1
InChI:   InChI=1/C19H23NO4/c1-22-16-11-15(12-17(23-2)19(16)24-3)9-10-18(21)20-13-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.6485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -3.39344  SlogP: 3.22777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508573  Sterimol/B1: 2.35096  Sterimol/B2: 3.33313  Sterimol/B3: 4.49052
  Sterimol/B4: 9.50763  Sterimol/L: 18.8908 
 
 Surface and Volume Properties
  Accessible surface: 640.073  Positive charged surface: 485.282  Negative charged surface: 154.791  Volume: 332.875
  Hydrophobic surface: 569.591  Hydrophilic surface: 70.482
 
 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.