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CHEMBRIDGE-ZINC00455301

MMsINC code: MMs00620503

Type: Neutral
Formula: C19H18N2O
SMILES:   O=C(Nc1ccc(N(C)C)cc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C19H18N2O/c1-21(2)18-11-9-17(10-12-18)20-19(22)16-8-7-14-5-3-4-6-15(14)13-16/h3-13H,1-2H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=97.192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.366 g/mol  logS: -5.16016  SlogP: 4.1581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0126683  Sterimol/B1: 2.51704  Sterimol/B2: 3.13075  Sterimol/B3: 3.37303
  Sterimol/B4: 4.87458  Sterimol/L: 18.7745 
 
 Surface and Volume Properties
  Accessible surface: 540.843  Positive charged surface: 346.162  Negative charged surface: 185.23  Volume: 298.625
  Hydrophobic surface: 504.887  Hydrophilic surface: 35.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.