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


PUBCHEM-ZINC03869289

 MMsINC code: MMs03078409
Type: Neutral
Formula: C4H7O8P
SMILES:   P(OCC(O)C(=O)C(O)=O)(O)(O)=O
InChI:   InChI=1/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/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)=-42.2851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.066 g/mol  logS: 0.69977  SlogP: -2.9599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838773  Sterimol/B1: 3.00537  Sterimol/B2: 3.32093  Sterimol/B3: 3.85825
  Sterimol/B4: 3.86521  Sterimol/L: 12.0331 
 
 Surface and Volume Properties
  Accessible surface: 371.229  Positive charged surface: 185.709  Negative charged surface: 185.52  Volume: 148.375
  Hydrophobic surface: 38.146  Hydrophilic surface: 333.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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


MMs03078410
PUBCHEM-ZINC03869289