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PUBCHEM-ZINC05998609

 MMsINC code: MMs03482632
Type: Neutral
Formula: C7H5Cl3O2
SMILES:   Clc1c(O)c(OC)c(Cl)cc1Cl
InChI:   InChI=1/C7H5Cl3O2/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2,11H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.3793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.474 g/mol  logS: -3.27618  SlogP: 3.361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050374  Sterimol/B1: 2.30798  Sterimol/B2: 2.87261  Sterimol/B3: 4.63875
  Sterimol/B4: 4.817  Sterimol/L: 11.1808 
 
 Surface and Volume Properties
  Accessible surface: 363.207  Positive charged surface: 140.241  Negative charged surface: 222.966  Volume: 170.75
  Hydrophobic surface: 316.735  Hydrophilic surface: 46.472
 
 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.