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CHEMBRIDGE-ZINC02840044

 MMsINC code: MMs00724183
Type: Neutral
Formula: C26H36N2O3
SMILES:   O(CC(=O)Nc1cc(ccc1)C(=O)NC)c1ccc(cc1C(CC)(C)C)C(CC)(C)C
InChI:   InChI=1/C26H36N2O3/c1-8-25(3,4)19-13-14-22(21(16-19)26(5,6)9-2)31-17-23(29)28-20-12-10-11-18(15-20)24(30)27-7/h10-16H,8-9,17H2,1-7H3,(H,27,30)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.585 g/mol  logS: -8.33397  SlogP: 5.4389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040512  Sterimol/B1: 3.07938  Sterimol/B2: 3.64773  Sterimol/B3: 4.97836
  Sterimol/B4: 7.9207  Sterimol/L: 20.9184 
 
 Surface and Volume Properties
  Accessible surface: 751.577  Positive charged surface: 513.87  Negative charged surface: 237.707  Volume: 443
  Hydrophobic surface: 561.722  Hydrophilic surface: 189.855
 
 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.