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CHEMDIV-ZINC04880852

MMsINC code: MMs00960222

Type: Neutral
Formula: C19H17ClN2O5
SMILES:   Clc1cc(OC)c(NC(=O)c2noc(c2)-c2ccccc2OC)cc1OC
InChI:   InChI=1/C19H17ClN2O5/c1-24-15-7-5-4-6-11(15)16-10-14(22-27-16)19(23)21-13-9-17(25-2)12(20)8-18(13)26-3/h4-10H,1-3H3,(H,21,23)

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=132.274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.807 g/mol  logS: -5.43475  SlogP: 4.2731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171286  Sterimol/B1: 2.41306  Sterimol/B2: 3.45852  Sterimol/B3: 3.77424
  Sterimol/B4: 8.63926  Sterimol/L: 18.9115 
 
 Surface and Volume Properties
  Accessible surface: 652.467  Positive charged surface: 426.75  Negative charged surface: 225.717  Volume: 343.875
  Hydrophobic surface: 567.907  Hydrophilic surface: 84.56
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.