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ENAMINE-ZINC03326605

 MMsINC code: MMs01373639
Type: Neutral
Formula: C26H27N3O2
SMILES:   O=C(NC(c1ccccc1)c1ccccc1)C1CCN(CC1)C(=O)Nc1ccccc1
InChI:   InChI=1/C26H27N3O2/c30-25(28-24(20-10-4-1-5-11-20)21-12-6-2-7-13-21)22-16-18-29(19-17-22)26(31)27-23-14-8-3-9-15-23/h1-15,22,24H,16-19H2,(H,27,31)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.0382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.521 g/mol  logS: -5.33943  SlogP: 4.9318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091717  Sterimol/B1: 2.56399  Sterimol/B2: 3.52531  Sterimol/B3: 5.74702
  Sterimol/B4: 8.6829  Sterimol/L: 20.4164 
 
 Surface and Volume Properties
  Accessible surface: 715.012  Positive charged surface: 439.032  Negative charged surface: 275.979  Volume: 417.375
  Hydrophobic surface: 654.071  Hydrophilic surface: 60.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.