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CHEMBRIDGE-ZINC00958155

 MMsINC code: MMs00648847
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(CC(=O)Nc1ccccc1C(C)C)c1ccc(cc1)C(=O)NCCc1ccccc1
InChI:   InChI=1/C26H28N2O3/c1-19(2)23-10-6-7-11-24(23)28-25(29)18-31-22-14-12-21(13-15-22)26(30)27-17-16-20-8-4-3-5-9-20/h3-15,19H,16-18H2,1-2H3,(H,27,30)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -6.5981  SlogP: 4.79997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201284  Sterimol/B1: 2.49745  Sterimol/B2: 2.71586  Sterimol/B3: 4.76892
  Sterimol/B4: 8.4411  Sterimol/L: 24.6251 
 
 Surface and Volume Properties
  Accessible surface: 774.036  Positive charged surface: 467.328  Negative charged surface: 306.708  Volume: 422.625
  Hydrophobic surface: 645.628  Hydrophilic surface: 128.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.