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ENAMINE-ZINC03611652

 MMsINC code: MMs01524262
Type: Neutral
Formula: C19H23NO4
SMILES:   O(C)c1cc(NC(=O)CCCOc2ccc(cc2)C)ccc1OC
InChI:   InChI=1/C19H23NO4/c1-14-6-9-16(10-7-14)24-12-4-5-19(21)20-15-8-11-17(22-2)18(13-15)23-3/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.1919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -4.09006  SlogP: 3.80992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125822  Sterimol/B1: 2.86272  Sterimol/B2: 2.99201  Sterimol/B3: 4.66956
  Sterimol/B4: 4.89305  Sterimol/L: 21.2547 
 
 Surface and Volume Properties
  Accessible surface: 652.137  Positive charged surface: 473.414  Negative charged surface: 178.723  Volume: 329.125
  Hydrophobic surface: 584.143  Hydrophilic surface: 67.994
 
 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.