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ASINEX-ZINC00779109

 MMsINC code: MMs00159047
Type: Neutral
Formula: C18H14Cl2N2O3
SMILES:   Clc1ccccc1-c1noc(C)c1C(=O)Nc1cc(Cl)c(OC)cc1
InChI:   InChI=1/C18H14Cl2N2O3/c1-10-16(17(22-25-10)12-5-3-4-6-13(12)19)18(23)21-11-7-8-15(24-2)14(20)9-11/h3-9H,1-2H3,(H,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.227 g/mol  logS: -6.22875  SlogP: 5.21772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0998464  Sterimol/B1: 2.20415  Sterimol/B2: 3.96862  Sterimol/B3: 4.48493
  Sterimol/B4: 10.33  Sterimol/L: 15.1133 
 
 Surface and Volume Properties
  Accessible surface: 601.499  Positive charged surface: 287.546  Negative charged surface: 313.953  Volume: 323.75
  Hydrophobic surface: 547.411  Hydrophilic surface: 54.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.