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PUBCHEM-ZINC06647435

 MMsINC code: MMs03834326
Type: Neutral
Formula: C19H20N2O6
SMILES:   O1c2cc(ccc2OC1)CC(=O)NC(C(=O)Nc1cc(OC)ccc1)CO
InChI:   InChI=1/C19H20N2O6/c1-25-14-4-2-3-13(9-14)20-19(24)15(10-22)21-18(23)8-12-5-6-16-17(7-12)27-11-26-16/h2-7,9,15,22H,8,10-11H2,1H3,(H,20,24)(H,21,23)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.19 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.377 g/mol  logS: -3.39185  SlogP: 1.08217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235489  Sterimol/B1: 2.8089  Sterimol/B2: 3.74316  Sterimol/B3: 4.51948
  Sterimol/B4: 4.71746  Sterimol/L: 21.7996 
 
 Surface and Volume Properties
  Accessible surface: 651.366  Positive charged surface: 454.32  Negative charged surface: 197.046  Volume: 339.375
  Hydrophobic surface: 473.167  Hydrophilic surface: 178.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.