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MAYBRIDGE-ZINC00145610

 MMsINC code: MMs02140531
Type: Neutral
Formula: C20H23NO3
SMILES:   O1CCN(CC1)CCC(=O)c1ccc(OCc2ccccc2)cc1
InChI:   InChI=1/C20H23NO3/c22-20(10-11-21-12-14-23-15-13-21)18-6-8-19(9-7-18)24-16-17-4-2-1-3-5-17/h1-9H,10-16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.2144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.408 g/mol  logS: -3.57936  SlogP: 3.437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318452  Sterimol/B1: 3.55568  Sterimol/B2: 3.60384  Sterimol/B3: 3.77477
  Sterimol/B4: 5.64501  Sterimol/L: 20.9171 
 
 Surface and Volume Properties
  Accessible surface: 624.295  Positive charged surface: 424.579  Negative charged surface: 199.716  Volume: 329.125
  Hydrophobic surface: 568.751  Hydrophilic surface: 55.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02140532
MAYBRIDGE-ZINC00145610