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PUBCHEM-ZINC05689459

 MMsINC code: MMs03349578
Type: Neutral
Formula: C23H23N3O5
SMILES:   O(CC(=O)Nc1ccc(OC)cc1)c1ccc(cc1OC)C(=O)NCc1cccnc1
InChI:   InChI=1/C23H23N3O5/c1-29-19-8-6-18(7-9-19)26-22(27)15-31-20-10-5-17(12-21(20)30-2)23(28)25-14-16-4-3-11-24-13-16/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.453 g/mol  logS: -4.18834  SlogP: 3.3127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175782  Sterimol/B1: 3.47969  Sterimol/B2: 3.75974  Sterimol/B3: 4.72472
  Sterimol/B4: 8.62812  Sterimol/L: 23.117 
 
 Surface and Volume Properties
  Accessible surface: 745.709  Positive charged surface: 529.56  Negative charged surface: 216.149  Volume: 396.125
  Hydrophobic surface: 609.579  Hydrophilic surface: 136.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.