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


ACROSORGANICS-ZINC01648270

 MMsINC code: MMs00010213
Type: Neutral
Formula: C6H10O4
SMILES:   O(C(=O)C(OCC)=O)CC
InChI:   InChI=1/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3

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)=32.1827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.142 g/mol  logS: -1.0613  SlogP: 0.1126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0282357  Sterimol/B1: 2.37486  Sterimol/B2: 2.37507  Sterimol/B3: 2.94057
  Sterimol/B4: 3.73603  Sterimol/L: 13.2817 
 
 Surface and Volume Properties
  Accessible surface: 357.882  Positive charged surface: 242.782  Negative charged surface: 115.101  Volume: 140
  Hydrophobic surface: 212.92  Hydrophilic surface: 144.962
 
 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.