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ALFAAESAR-ZINC00154748

 MMsINC code: MMs00019977
Type: Neutral
Formula: C6H2Cl4O2
SMILES:   Clc1c(O)c(O)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.4782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.892 g/mol  logS: -3.59814  SlogP: 3.7114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299677  Sterimol/B1: 2.22337  Sterimol/B2: 2.3235  Sterimol/B3: 4.4655
  Sterimol/B4: 5.85028  Sterimol/L: 8.90696 
 
 Surface and Volume Properties
  Accessible surface: 356.444  Positive charged surface: 97.8561  Negative charged surface: 258.588  Volume: 164.75
  Hydrophobic surface: 268.663  Hydrophilic surface: 87.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.