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


PUBCHEM-ZINC06491026

 MMsINC code: MMs03764670
Type: Neutral
Formula: C3H7O6P
SMILES:   P(O)(O)(=O)C(O)(C(O)=O)C
InChI:   InChI=1/C3H7O6P/c1-3(6,2(4)5)10(7,8)9/h6H,1H3,(H,4,5)(H2,7,8,9)/t3-/m1/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)=-17.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.057 g/mol  logS: 0.90251  SlogP: -2.113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.534068  Sterimol/B1: 2.0938  Sterimol/B2: 2.58118  Sterimol/B3: 4.62162
  Sterimol/B4: 5.13371  Sterimol/L: 8.64841 
 
 Surface and Volume Properties
  Accessible surface: 304.215  Positive charged surface: 158.643  Negative charged surface: 145.573  Volume: 120.875
  Hydrophobic surface: 44.1699  Hydrophilic surface: 260.0451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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


MMs03764671
PUBCHEM-ZINC06491026