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CHEMBRIDGE-ZINC02826400

 MMsINC code: MMs00721217
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C26H28N2O3/c1-26(2,3)20-13-15-21(16-14-20)31-18-24(29)28-23-12-8-7-11-22(23)25(30)27-17-19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3,(H,27,30)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -7.3653  SlogP: 5.198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263006  Sterimol/B1: 2.74048  Sterimol/B2: 4.33273  Sterimol/B3: 4.76204
  Sterimol/B4: 7.32678  Sterimol/L: 22.6456 
 
 Surface and Volume Properties
  Accessible surface: 762.138  Positive charged surface: 458.604  Negative charged surface: 303.535  Volume: 421.25
  Hydrophobic surface: 630.482  Hydrophilic surface: 131.656
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.