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


NCID-ZINC01672846

 MMsINC code: MMs02308922
Type: Neutral
Formula: C7H7I
SMILES:   Ic1ccccc1C
InChI:   InChI=1/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

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)=26.8583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.037 g/mol  logS: -2.53687  SlogP: 2.59962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304593  Sterimol/B1: 2.3665  Sterimol/B2: 2.51208  Sterimol/B3: 3.46079
  Sterimol/B4: 5.46115  Sterimol/L: 8.78499 
 
 Surface and Volume Properties
  Accessible surface: 313.403  Positive charged surface: 127.092  Negative charged surface: 186.311  Volume: 141.25
  Hydrophobic surface: 313.403  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.