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PUBCHEM-ZINC06091351

 MMsINC code: MMs03537351
Type: Neutral
Formula: C12H5Cl5O
SMILES:   Clc1cc(Cl)cc(Cl)c1Oc1cc(Cl)cc(Cl)c1
InChI:   InChI=1/C12H5Cl5O/c13-6-1-7(14)3-9(2-6)18-12-10(16)4-8(15)5-11(12)17/h1-5H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.436 g/mol  logS: -6.83904  SlogP: 6.7459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159443  Sterimol/B1: 2.55819  Sterimol/B2: 4.74625  Sterimol/B3: 4.75345
  Sterimol/B4: 6.52269  Sterimol/L: 14.4405 
 
 Surface and Volume Properties
  Accessible surface: 490.026  Positive charged surface: 97.464  Negative charged surface: 392.562  Volume: 254.375
  Hydrophobic surface: 490.026  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.