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


PUBCHEM-ZINC04095706

 MMsINC code: MMs03089502
Type: Neutral
Formula: C6H12O6
SMILES:   OC(C(O)C(O)C)C(O)C(O)=O
InChI:   InChI=1/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5+/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)=53.3377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 0.89657  SlogP: -2.4655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138738  Sterimol/B1: 2.70665  Sterimol/B2: 3.42221  Sterimol/B3: 3.67859
  Sterimol/B4: 3.77787  Sterimol/L: 11.14 
 
 Surface and Volume Properties
  Accessible surface: 352.929  Positive charged surface: 235.009  Negative charged surface: 117.92  Volume: 152.25
  Hydrophobic surface: 102.577  Hydrophilic surface: 250.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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


MMs03089503
PUBCHEM-ZINC04095706