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ALFAAESAR-ZINC00394419

 MMsINC code: MMs00020898
Type: Neutral
Formula: C6H2Cl4O
SMILES:   Clc1c(O)c(Cl)cc(Cl)c1Cl
InChI:   InChI=1/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.3258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.893 g/mol  logS: -3.96009  SlogP: 4.0058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0134804  Sterimol/B1: 2.19584  Sterimol/B2: 2.23026  Sterimol/B3: 3.11315
  Sterimol/B4: 6.29407  Sterimol/L: 9.57658 
 
 Surface and Volume Properties
  Accessible surface: 348.197  Positive charged surface: 74.6907  Negative charged surface: 273.506  Volume: 158.375
  Hydrophobic surface: 307.577  Hydrophilic surface: 40.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.