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


ACROSORGANICS-ZINC06661609

 MMsINC code: MMs00018983
Type: Neutral
Formula: C10H16O7
SMILES:   O(C(=O)CC(O)(CC(OCC)=O)C(O)=O)CC
InChI:   InChI=1/C10H16O7/c1-3-16-7(11)5-10(15,9(13)14)6-8(12)17-4-2/h15H,3-6H2,1-2H3,(H,13,14)

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)=30.7446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.231 g/mol  logS: -0.61844  SlogP: -0.2915  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0485232  Sterimol/B1: 2.77694  Sterimol/B2: 2.92466  Sterimol/B3: 3.61806
  Sterimol/B4: 4.58743  Sterimol/L: 16.942 
 
 Surface and Volume Properties
  Accessible surface: 484.077  Positive charged surface: 340.059  Negative charged surface: 144.018  Volume: 221.625
  Hydrophobic surface: 280.373  Hydrophilic surface: 203.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00018984
ACROSORGANICS-ZINC06661609