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ENAMINE-ZINC06790579

 MMsINC code: MMs01699697
Type: Neutral
Formula: C19H23NO4
SMILES:   O(CCC(=O)Nc1cc(ccc1OC)C)c1ccccc1OCC
InChI:   InChI=1/C19H23NO4/c1-4-23-17-7-5-6-8-18(17)24-12-11-19(21)20-15-13-14(2)9-10-16(15)22-3/h5-10,13H,4,11-12H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.7572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -4.2155  SlogP: 3.80992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0220149  Sterimol/B1: 2.58529  Sterimol/B2: 2.95176  Sterimol/B3: 3.91794
  Sterimol/B4: 8.31487  Sterimol/L: 17.7346 
 
 Surface and Volume Properties
  Accessible surface: 647.332  Positive charged surface: 458.738  Negative charged surface: 188.594  Volume: 326.875
  Hydrophobic surface: 568.022  Hydrophilic surface: 79.31
 
 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.