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


ALFAAESAR-ZINC00896179

 MMsINC code: MMs00021117
Type: Neutral
Formula: C6H12O6
SMILES:   O1CC(O)C(O)C(O)C1(O)CO
InChI:   InChI=1/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m0/s1

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)=70.897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 1.07472  SlogP: -3.2198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264149  Sterimol/B1: 2.31441  Sterimol/B2: 3.30574  Sterimol/B3: 3.48099
  Sterimol/B4: 5.29634  Sterimol/L: 10.0177 
 
 Surface and Volume Properties
  Accessible surface: 338.857  Positive charged surface: 270.214  Negative charged surface: 68.6432  Volume: 149.375
  Hydrophobic surface: 132.995  Hydrophilic surface: 205.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00021118
ALFAAESAR-ZINC00896179