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CHEMBRIDGE-ZINC00121785

 MMsINC code: MMs00589520
Type: Neutral
Formula: C19H21NO5
SMILES:   O(C)c1cc(ccc1OC)CC(=O)Nc1ccccc1C(OCC)=O
InChI:   InChI=1/C19H21NO5/c1-4-25-19(22)14-7-5-6-8-15(14)20-18(21)12-13-9-10-16(23-2)17(11-13)24-3/h5-11H,4,12H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.379 g/mol  logS: -4.22604  SlogP: 3.06167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818077  Sterimol/B1: 2.38149  Sterimol/B2: 3.96159  Sterimol/B3: 4.32648
  Sterimol/B4: 7.56628  Sterimol/L: 18.2644 
 
 Surface and Volume Properties
  Accessible surface: 635.047  Positive charged surface: 465.697  Negative charged surface: 169.35  Volume: 331.125
  Hydrophobic surface: 537.432  Hydrophilic surface: 97.615
 
 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.