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


ALFAAESAR-ZINC00403413

 MMsINC code: MMs00020995
Type: Neutral
Formula: C7H7IO
SMILES:   Ic1ccc(cc1)CO
InChI:   InChI=1/C7H7IO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

Download   format file 
Drug Similarity  |  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)=22.1791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.036 g/mol  logS: -2.14742  SlogP: 2.0499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507763  Sterimol/B1: 2.21772  Sterimol/B2: 2.42062  Sterimol/B3: 2.89123
  Sterimol/B4: 4.81598  Sterimol/L: 11.5656 
 
 Surface and Volume Properties
  Accessible surface: 338.785  Positive charged surface: 152.325  Negative charged surface: 186.46  Volume: 148
  Hydrophobic surface: 275.003  Hydrophilic surface: 63.782
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.