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PUBCHEM-ZINC06641394

 MMsINC code: MMs03833088
Type: Neutral
Formula: C16H16Cl2N2O4
SMILES:   Clc1cc(Cl)ccc1NC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C16H16Cl2N2O4/c1-22-13-7-10(8-14(23-2)15(13)24-3)19-16(21)20-12-5-4-9(17)6-11(12)18/h4-8H,1-3H3,(H2,19,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.22 g/mol  logS: -4.87177  SlogP: 4.6632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0526373  Sterimol/B1: 2.55166  Sterimol/B2: 4.04926  Sterimol/B3: 4.12579
  Sterimol/B4: 8.41527  Sterimol/L: 17.585 
 
 Surface and Volume Properties
  Accessible surface: 607.606  Positive charged surface: 382.782  Negative charged surface: 224.823  Volume: 316.75
  Hydrophobic surface: 540.506  Hydrophilic surface: 67.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.