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PUBCHEM-ZINC03165572

 MMsINC code: MMs03004168
Type: Neutral
Formula: C6H3Cl2IO
SMILES:   Ic1cc(Cl)c(O)c(Cl)c1
InChI:   InChI=1/C6H3Cl2IO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.8873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.899 g/mol  logS: -3.48303  SlogP: 3.3036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132337  Sterimol/B1: 2.22245  Sterimol/B2: 2.52838  Sterimol/B3: 3.55165
  Sterimol/B4: 5.94825  Sterimol/L: 10.3478 
 
 Surface and Volume Properties
  Accessible surface: 352.147  Positive charged surface: 79.9959  Negative charged surface: 272.151  Volume: 158.25
  Hydrophobic surface: 311.089  Hydrophilic surface: 41.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.