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PUBCHEM-ZINC05355870

 MMsINC code: MMs03246943
Type: Neutral
Formula: C17H17Cl2NO4
SMILES:   Clc1cc(Cl)c(OCCOC)cc1NC(=O)c1cc(OC)ccc1
InChI:   InChI=1/C17H17Cl2NO4/c1-22-6-7-24-16-10-15(13(18)9-14(16)19)20-17(21)11-4-3-5-12(8-11)23-2/h3-5,8-10H,6-7H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.232 g/mol  logS: -5.06685  SlogP: 4.2795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0194378  Sterimol/B1: 2.45294  Sterimol/B2: 2.48181  Sterimol/B3: 3.43262
  Sterimol/B4: 9.69995  Sterimol/L: 16.8215 
 
 Surface and Volume Properties
  Accessible surface: 626.917  Positive charged surface: 379.764  Negative charged surface: 247.152  Volume: 323.125
  Hydrophobic surface: 580.598  Hydrophilic surface: 46.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.