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ENAMINE-ZINC05437649

 MMsINC code: MMs01612450
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(CC(=O)Nc1c(cccc1CC)CC)c1ccccc1C(=O)NCc1ccccc1
InChI:   InChI=1/C26H28N2O3/c1-3-20-13-10-14-21(4-2)25(20)28-24(29)18-31-23-16-9-8-15-22(23)26(30)27-17-19-11-6-5-7-12-19/h5-16H,3-4,17-18H2,1-2H3,(H,27,30)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -6.6971  SlogP: 5.02524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921513  Sterimol/B1: 3.06145  Sterimol/B2: 4.52821  Sterimol/B3: 6.458
  Sterimol/B4: 7.5197  Sterimol/L: 19.5979 
 
 Surface and Volume Properties
  Accessible surface: 757.924  Positive charged surface: 466.139  Negative charged surface: 291.785  Volume: 422
  Hydrophobic surface: 650.326  Hydrophilic surface: 107.598
 
 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.