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


ACROSORGANICS-ZINC00895607

 MMsINC code: MMs00008175
Type: Neutral
Formula: C6H10O6
SMILES:   O1C(C(O)CO)C(O)C(O)C1=O
InChI:   InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/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)=69.9832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.66261  SlogP: -3.0132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154496  Sterimol/B1: 3.11049  Sterimol/B2: 3.16825  Sterimol/B3: 3.85396
  Sterimol/B4: 4.05795  Sterimol/L: 10.9265 
 
 Surface and Volume Properties
  Accessible surface: 338.448  Positive charged surface: 243.688  Negative charged surface: 94.7598  Volume: 144.5
  Hydrophobic surface: 113.316  Hydrophilic surface: 225.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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: no related molecules available.