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


PUBCHEM-ZINC03869869

 MMsINC code: MMs03078998
Type: Neutral
Formula: C4H9O6P
SMILES:   P(OCC(O)C(=O)C)(O)(O)=O
InChI:   InChI=1/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m0/s1

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)=-52.5922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.084 g/mol  logS: 0.68825  SlogP: -2.0246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961281  Sterimol/B1: 2.78018  Sterimol/B2: 2.94648  Sterimol/B3: 3.23557
  Sterimol/B4: 4.73581  Sterimol/L: 11.4516 
 
 Surface and Volume Properties
  Accessible surface: 349.545  Positive charged surface: 187.611  Negative charged surface: 161.934  Volume: 140.875
  Hydrophobic surface: 116.524  Hydrophilic surface: 233.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03078999
PUBCHEM-ZINC03869869