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CHEMDIV-ZINC00262396

 MMsINC code: MMs00847724
Type: Neutral
Formula: C12H6Cl4O
SMILES:   Clc1cc(Cl)c(Cl)cc1Oc1ccc(Cl)cc1
InChI:   InChI=1/C12H6Cl4O/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.3462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.991 g/mol  logS: -6.10475  SlogP: 6.0925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105114  Sterimol/B1: 2.29542  Sterimol/B2: 4.36204  Sterimol/B3: 4.91444
  Sterimol/B4: 5.08587  Sterimol/L: 14.1157 
 
 Surface and Volume Properties
  Accessible surface: 472.503  Positive charged surface: 129.807  Negative charged surface: 342.696  Volume: 238.25
  Hydrophobic surface: 472.503  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.