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PUBCHEM-ZINC02021369

 MMsINC code: MMs02856626
Type: Neutral
Formula: C8H7Cl3O2
SMILES:   Clc1c(OC)c(OC)c(Cl)cc1Cl
InChI:   InChI=1/C8H7Cl3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.0089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.501 g/mol  logS: -3.68851  SlogP: 3.664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138096  Sterimol/B1: 2.65819  Sterimol/B2: 3.40868  Sterimol/B3: 3.8141
  Sterimol/B4: 6.36786  Sterimol/L: 10.6662 
 
 Surface and Volume Properties
  Accessible surface: 388.663  Positive charged surface: 189.689  Negative charged surface: 198.974  Volume: 189.125
  Hydrophobic surface: 378.11  Hydrophilic surface: 10.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.