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PUBCHEM-ZINC00410132

 MMsINC code: MMs02678280
Type: Neutral
Formula: C7H6Cl2O2
SMILES:   Clc1c(Cl)c(O)ccc1OC
InChI:   InChI=1/C7H6Cl2O2/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9628 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: 0.0245612  Sterimol/B1: 2.35353  Sterimol/B2: 2.39471  Sterimol/B3: 3.80735
  Sterimol/B4: 5.20584  Sterimol/L: 10.4809 
 
 Surface and Volume Properties
  Accessible surface: 348.776  Positive charged surface: 174.114  Negative charged surface: 174.662  Volume: 154
  Hydrophobic surface: 296.212  Hydrophilic surface: 52.564
 
 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.