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


PUBCHEM-ZINC01532776

 MMsINC code: MMs02813720
Type: Neutral
Formula: C6H10O3
SMILES:   OC(=O)C(=O)CCCC
InChI:   InChI=1/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)

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)=15.9388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.143 g/mol  logS: -1.1573  SlogP: 0.8303  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482319  Sterimol/B1: 2.3753  Sterimol/B2: 2.37603  Sterimol/B3: 3.10988
  Sterimol/B4: 3.35706  Sterimol/L: 11.951 
 
 Surface and Volume Properties
  Accessible surface: 322.028  Positive charged surface: 211.3  Negative charged surface: 110.728  Volume: 127.625
  Hydrophobic surface: 159.226  Hydrophilic surface: 162.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02813721
PUBCHEM-ZINC01532776