logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC04529595

 MMsINC code: MMs03129117
Type: Neutral
Formula: C6H12I2O2
SMILES:   ICCOCCOCCI
InChI:   InChI=1/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=25.4182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.968 g/mol  logS: -3.49236  SlogP: 1.8896  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118165  Sterimol/B1: 2.39648  Sterimol/B2: 4.26511  Sterimol/B3: 4.8407
  Sterimol/B4: 4.92388  Sterimol/L: 12.1999 
 
 Surface and Volume Properties
  Accessible surface: 443.963  Positive charged surface: 246.789  Negative charged surface: 197.175  Volume: 200
  Hydrophobic surface: 441.016  Hydrophilic surface: 2.947
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.