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


ACROSORGANICS-ZINC01648271

 MMsINC code: MMs00010214
Type: Neutral
Formula: C6H10O4
SMILES:   O(C(OC(=O)C)C)C(=O)C
InChI:   InChI=1/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3

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)=7.55966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.142 g/mol  logS: -0.62954  SlogP: 0.4586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145094  Sterimol/B1: 2.3035  Sterimol/B2: 2.78319  Sterimol/B3: 3.64141
  Sterimol/B4: 6.25459  Sterimol/L: 10.4795 
 
 Surface and Volume Properties
  Accessible surface: 345.191  Positive charged surface: 211.955  Negative charged surface: 133.237  Volume: 137
  Hydrophobic surface: 247.307  Hydrophilic surface: 97.884
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.