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CHEMBRIDGE-ZINC01066309

MMsINC code: MMs00657067

Type: Neutral
Formula: C19H21NO2
SMILES:   O1CCN(CC1)C(=O)c1ccccc1CCc1ccccc1
InChI:   InChI=1/C19H21NO2/c21-19(20-12-14-22-15-13-20)18-9-5-4-8-17(18)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=91.9279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.382 g/mol  logS: -4.2078  SlogP: 2.94414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0908385  Sterimol/B1: 3.3165  Sterimol/B2: 3.65273  Sterimol/B3: 4.40363
  Sterimol/B4: 7.8119  Sterimol/L: 13.7697 
 
 Surface and Volume Properties
  Accessible surface: 543.444  Positive charged surface: 360.412  Negative charged surface: 183.032  Volume: 303
  Hydrophobic surface: 515.028  Hydrophilic surface: 28.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.