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


PUBCHEM-ZINC03869887

 MMsINC code: MMs03079017
Type: Neutral
Formula: C3H8O10P2
SMILES:   P(OC(=O)C(O)COP(O)(O)=O)(O)(O)=O
InChI:   InChI=1/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/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)=-125.959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.035 g/mol  logS: 1.17639  SlogP: -4.0479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675208  Sterimol/B1: 3.30866  Sterimol/B2: 3.32437  Sterimol/B3: 4.04855
  Sterimol/B4: 4.07634  Sterimol/L: 13.2698 
 
 Surface and Volume Properties
  Accessible surface: 423.256  Positive charged surface: 208.018  Negative charged surface: 215.237  Volume: 170.125
  Hydrophobic surface: 45.9113  Hydrophilic surface: 377.3447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03079018
PUBCHEM-ZINC03869887