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PUBCHEM-ZINC06372876

 MMsINC code: MMs03690519
Type: Neutral
Formula: C23H24N2O4
SMILES:   O1CCN(CC1)C(=O)/C(/NC(=O)\C=C/c1ccccc1)=C/c1ccc(OC)cc1
InChI:   InChI=1/C23H24N2O4/c1-28-20-10-7-19(8-11-20)17-21(23(27)25-13-15-29-16-14-25)24-22(26)12-9-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,26)/b12-9-,21-17-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=179.871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -4.78454  SlogP: 2.7245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146861  Sterimol/B1: 3.98631  Sterimol/B2: 4.49649  Sterimol/B3: 5.99728
  Sterimol/B4: 7.84939  Sterimol/L: 15.5338 
 
 Surface and Volume Properties
  Accessible surface: 665.416  Positive charged surface: 466.255  Negative charged surface: 199.161  Volume: 383
  Hydrophobic surface: 602.355  Hydrophilic surface: 63.061
 
 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.