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


ACROSORGANICS-ZINC00895136

 MMsINC code: MMs00008136
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+/m1/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)=62.8471 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: 0.158865  Sterimol/B1: 2.40017  Sterimol/B2: 2.92795  Sterimol/B3: 3.36093
  Sterimol/B4: 5.98437  Sterimol/L: 10.3641 
 
 Surface and Volume Properties
  Accessible surface: 342.887  Positive charged surface: 263.335  Negative charged surface: 79.5521  Volume: 150.375
  Hydrophobic surface: 126.633  Hydrophilic surface: 216.254
 
 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


MMs00008137
ACROSORGANICS-ZINC00895136