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


NCID-ZINC04577740

 MMsINC code: MMs02391533
Type: Neutral
Formula: C6H12O6
SMILES:   O(C(=O)C(O)C(O)C(O)CO)C
InChI:   InChI=1/C6H12O6/c1-12-6(11)5(10)4(9)3(8)2-7/h3-5,7-10H,2H2,1H3/t3-,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)=56.4458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 0.81145  SlogP: -2.7656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106174  Sterimol/B1: 2.51423  Sterimol/B2: 2.88576  Sterimol/B3: 3.5823
  Sterimol/B4: 4.93503  Sterimol/L: 12.1631 
 
 Surface and Volume Properties
  Accessible surface: 366.588  Positive charged surface: 271.81  Negative charged surface: 94.7775  Volume: 154.75
  Hydrophobic surface: 171.927  Hydrophilic surface: 194.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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: no related molecules available.