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


DSC-ZINC02560579

 MMsINC code: MMs01221736
Type: Neutral
Formula: C6H13O4P
SMILES:   P(OCC)(OCC)(=O)C(=O)C
InChI:   InChI=1/C6H13O4P/c1-4-9-11(8,6(3)7)10-5-2/h4-5H2,1-3H3

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)=20.7263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.14 g/mol  logS: -0.66047  SlogP: 0.7288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22473  Sterimol/B1: 2.53125  Sterimol/B2: 2.54702  Sterimol/B3: 4.62106
  Sterimol/B4: 6.75261  Sterimol/L: 10.4861 
 
 Surface and Volume Properties
  Accessible surface: 395.579  Positive charged surface: 253.874  Negative charged surface: 141.705  Volume: 167.5
  Hydrophobic surface: 264.331  Hydrophilic surface: 131.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.