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ASINEX-ZINC00044861

 MMsINC code: MMs00063770
Type: Neutral
Formula: C19H23NO5
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)COc1ccc(OC)cc1
InChI:   InChI=1/C19H23NO5/c1-22-15-5-7-16(8-6-15)25-13-19(21)20-11-10-14-4-9-17(23-2)18(12-14)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.395 g/mol  logS: -3.58834  SlogP: 2.45007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374793  Sterimol/B1: 2.36977  Sterimol/B2: 4.13645  Sterimol/B3: 5.31148
  Sterimol/B4: 5.55349  Sterimol/L: 22.4866 
 
 Surface and Volume Properties
  Accessible surface: 672.964  Positive charged surface: 501.396  Negative charged surface: 171.568  Volume: 339.375
  Hydrophobic surface: 582.499  Hydrophilic surface: 90.465
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.