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CHEMBRIDGE-ZINC00362522

MMsINC code: MMs00610113

Type: Neutral
Formula: C19H24N2O2
SMILES:   O(CC)c1ccc(cc1)C(=O)Nc1ccc(N(CC)CC)cc1
InChI:   InChI=1/C19H24N2O2/c1-4-21(5-2)17-11-9-16(10-12-17)20-19(22)15-7-13-18(14-8-15)23-6-3/h7-14H,4-6H2,1-3H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=92.6097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.413 g/mol  logS: -4.31429  SlogP: 4.1838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0164495  Sterimol/B1: 2.34261  Sterimol/B2: 2.45399  Sterimol/B3: 3.32982
  Sterimol/B4: 6.66212  Sterimol/L: 19.1997 
 
 Surface and Volume Properties
  Accessible surface: 611.491  Positive charged surface: 404.998  Negative charged surface: 206.493  Volume: 327.5
  Hydrophobic surface: 483.015  Hydrophilic surface: 128.476
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.