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CHEMBRIDGE-ZINC02984904

MMsINC code: MMs00745650

Type: Neutral
Formula: C19H19NO2
SMILES:   O(CCOc1c2ncccc2ccc1)c1cc(C)c(cc1)C
InChI:   InChI=1/C19H19NO2/c1-14-8-9-17(13-15(14)2)21-11-12-22-18-7-3-5-16-6-4-10-20-19(16)18/h3-10,13H,11-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=103.168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.366 g/mol  logS: -4.81636  SlogP: 4.30944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492637  Sterimol/B1: 2.73364  Sterimol/B2: 4.55193  Sterimol/B3: 4.55465
  Sterimol/B4: 4.7845  Sterimol/L: 16.9603 
 
 Surface and Volume Properties
  Accessible surface: 573.595  Positive charged surface: 367.643  Negative charged surface: 200.762  Volume: 298.25
  Hydrophobic surface: 546.624  Hydrophilic surface: 26.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.