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CHEMBRIDGE-ZINC01751810

 MMsINC code: MMs00695513
Type: Neutral
Formula: C16H8Cl4N2O2
SMILES:   Clc1cc(Cl)cnc1Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChI:   InChI=1/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.0364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.064 g/mol  logS: -5.9937  SlogP: 6.6748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510091  Sterimol/B1: 2.5465  Sterimol/B2: 4.52383  Sterimol/B3: 4.82766
  Sterimol/B4: 5.43556  Sterimol/L: 18.3656 
 
 Surface and Volume Properties
  Accessible surface: 614.477  Positive charged surface: 242.41  Negative charged surface: 372.067  Volume: 314.125
  Hydrophobic surface: 600.614  Hydrophilic surface: 13.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.