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


NCID-ZINC05341165

 MMsINC code: MMs02453507
Type: Neutral
Formula: C6H12O6
SMILES:   OC(C(O)C(O)CO)(C(O)=O)C
InChI:   InChI=1/C6H12O6/c1-6(12,5(10)11)4(9)3(8)2-7/h3-4,7-9,12H,2H2,1H3,(H,10,11)/t3-,4-,6+/m1/s1

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)=53.5951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 0.89657  SlogP: -2.4639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.265864  Sterimol/B1: 2.38376  Sterimol/B2: 3.25551  Sterimol/B3: 3.57335
  Sterimol/B4: 5.33375  Sterimol/L: 10.5305 
 
 Surface and Volume Properties
  Accessible surface: 341.382  Positive charged surface: 225.208  Negative charged surface: 116.174  Volume: 152
  Hydrophobic surface: 105.812  Hydrophilic surface: 235.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02453508
NCID-ZINC05341165