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PUBCHEM-ZINC05732413

 MMsINC code: MMs03363857
Type: Neutral
Formula: C7H6Cl2O2
SMILES:   Clc1cc(O)c(Cl)cc1OC
InChI:   InChI=1/C7H6Cl2O2/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3,10H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.9475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.029 g/mol  logS: -2.54189  SlogP: 2.7076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252545  Sterimol/B1: 2.35812  Sterimol/B2: 2.39038  Sterimol/B3: 4.74614
  Sterimol/B4: 5.38659  Sterimol/L: 10.5165 
 
 Surface and Volume Properties
  Accessible surface: 352.439  Positive charged surface: 166.051  Negative charged surface: 186.389  Volume: 152.5
  Hydrophobic surface: 299.928  Hydrophilic surface: 52.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.