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ACROSORGANICS-ZINC00403237

 MMsINC code: MMs00007598
Type: Neutral
Formula: C6H4Cl2O2
SMILES:   Clc1cc(O)c(Cl)cc1O
InChI:   InChI=1/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.002 g/mol  logS: -2.12956  SlogP: 2.4046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273175  Sterimol/B1: 2.097  Sterimol/B2: 2.19156  Sterimol/B3: 3.16692
  Sterimol/B4: 5.75976  Sterimol/L: 8.97605 
 
 Surface and Volume Properties
  Accessible surface: 321.899  Positive charged surface: 122.356  Negative charged surface: 199.543  Volume: 135.5
  Hydrophobic surface: 229.206  Hydrophilic surface: 92.693
 
 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.