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CHEMBRIDGE-ZINC02740522

 MMsINC code: MMs00714623
Type: Neutral
Formula: C26H24N2O
SMILES:   O=C(NCCCc1ccccc1)c1cc(nc2c1cccc2)-c1ccccc1C
InChI:   InChI=1/C26H24N2O/c1-19-10-5-6-14-21(19)25-18-23(22-15-7-8-16-24(22)28-25)26(29)27-17-9-13-20-11-3-2-4-12-20/h2-8,10-12,14-16,18H,9,13,17H2,1H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.491 g/mol  logS: -7.01979  SlogP: 5.57279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0535793  Sterimol/B1: 2.40328  Sterimol/B2: 5.12568  Sterimol/B3: 5.45102
  Sterimol/B4: 8.74976  Sterimol/L: 17.5548 
 
 Surface and Volume Properties
  Accessible surface: 700.024  Positive charged surface: 409.816  Negative charged surface: 281.625  Volume: 391.75
  Hydrophobic surface: 651.794  Hydrophilic surface: 48.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.