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NANOSIN-ZINC00394287

 MMsINC code: MMs02192346
Type: Neutral
Formula: C6H3Cl2IO
SMILES:   Ic1cc(Cl)cc(Cl)c1O
InChI:   InChI=1/C6H3Cl2IO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.7625 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: 0.0137729  Sterimol/B1: 2.21613  Sterimol/B2: 2.49987  Sterimol/B3: 3.76834
  Sterimol/B4: 6.30979  Sterimol/L: 9.64458 
 
 Surface and Volume Properties
  Accessible surface: 351.238  Positive charged surface: 79.3898  Negative charged surface: 271.848  Volume: 159.875
  Hydrophobic surface: 313.745  Hydrophilic surface: 37.493
 
 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.