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


PUBCHEM-ZINC05830432

 MMsINC code: MMs03405245
Type: Neutral
Formula: C7H14O6
SMILES:   O1C(CO)C(O)C(CO)C(O)C1O
InChI:   InChI=1/C7H14O6/c8-1-3-5(10)4(2-9)13-7(12)6(3)11/h3-12H,1-2H2/t3-,4-,5-,6-,7+/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)=64.0169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.183 g/mol  logS: 1.17362  SlogP: -2.9738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.36046  Sterimol/B1: 3.59809  Sterimol/B2: 4.00127  Sterimol/B3: 4.14876
  Sterimol/B4: 4.4272  Sterimol/L: 10.1901 
 
 Surface and Volume Properties
  Accessible surface: 358.953  Positive charged surface: 281.684  Negative charged surface: 77.2697  Volume: 162.875
  Hydrophobic surface: 131.725  Hydrophilic surface: 227.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.