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CHEMDIV-ZINC04880662

 MMsINC code: MMs00960173
Type: Neutral
Formula: C18H15ClN2O5
SMILES:   Clc1cc(OC)c(NC(=O)c2noc(c2)-c2ccc(O)cc2)cc1OC
InChI:   InChI=1/C18H15ClN2O5/c1-24-16-8-13(17(25-2)7-12(16)19)20-18(23)14-9-15(26-21-14)10-3-5-11(22)6-4-10/h3-9,22H,1-2H3,(H,20,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.78 g/mol  logS: -5.02242  SlogP: 3.9701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112377  Sterimol/B1: 2.40746  Sterimol/B2: 2.52269  Sterimol/B3: 3.06756
  Sterimol/B4: 9.625  Sterimol/L: 19.491 
 
 Surface and Volume Properties
  Accessible surface: 620.601  Positive charged surface: 371.391  Negative charged surface: 249.21  Volume: 323.75
  Hydrophobic surface: 490.023  Hydrophilic surface: 130.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.