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PUBCHEM-ZINC06145095

MMsINC code: MMs03562286

Type: Neutral
Formula: C19H22N2O3
SMILES:   O(C(=O)C(NC(=O)N(Cc1ccccc1)C)Cc1ccccc1)C
InChI:   InChI=1/C19H22N2O3/c1-21(14-16-11-7-4-8-12-16)19(23)20-17(18(22)24-2)13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,20,23)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=52.6083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.396 g/mol  logS: -3.50378  SlogP: 2.87867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100988  Sterimol/B1: 2.19068  Sterimol/B2: 2.86169  Sterimol/B3: 4.85037
  Sterimol/B4: 9.25587  Sterimol/L: 15.414 
 
 Surface and Volume Properties
  Accessible surface: 606.252  Positive charged surface: 403.122  Negative charged surface: 203.13  Volume: 330.25
  Hydrophobic surface: 549.802  Hydrophilic surface: 56.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.