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IFLAB-ZINC02456242

MMsINC code: MMs01989518

Type: Neutral
Formula: C19H20N2O3
SMILES:   Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1C
InChI:   InChI=1/C19H20N2O3/c1-14-4-2-3-5-17(14)19(24)21-12-10-20(11-13-21)18(23)15-6-8-16(22)9-7-15/h2-9,22H,10-13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=131.371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.38 g/mol  logS: -3.52031  SlogP: 2.29882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100802  Sterimol/B1: 2.31846  Sterimol/B2: 4.5639  Sterimol/B3: 5.42925
  Sterimol/B4: 5.6962  Sterimol/L: 14.7081 
 
 Surface and Volume Properties
  Accessible surface: 562.885  Positive charged surface: 352.279  Negative charged surface: 210.606  Volume: 312.75
  Hydrophobic surface: 454.81  Hydrophilic surface: 108.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.