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IBS-ZINC04854304

 MMsINC code: MMs01901441
Type: Neutral
Formula: C19H23NO4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)Cc1ccc(OC)cc1
InChI:   InChI=1/C19H23NO4/c1-22-16-7-4-14(5-8-16)13-19(21)20-11-10-15-6-9-17(23-2)18(12-15)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)=97.2833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -3.57299  SlogP: 2.61374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0654379  Sterimol/B1: 2.16266  Sterimol/B2: 3.14592  Sterimol/B3: 5.54421
  Sterimol/B4: 6.35168  Sterimol/L: 19.8468 
 
 Surface and Volume Properties
  Accessible surface: 645.708  Positive charged surface: 495.118  Negative charged surface: 150.591  Volume: 326.75
  Hydrophobic surface: 574.065  Hydrophilic surface: 71.643
 
 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.