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


SIAL-ZINC05274119

 MMsINC code: MMs03927522
Type: Neutral
Formula: C5H11O8P
SMILES:   P(OC1OCC(O)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/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)=-13.9388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.109 g/mol  logS: 1.25983  SlogP: -3.5355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156571  Sterimol/B1: 2.45731  Sterimol/B2: 2.72055  Sterimol/B3: 3.85072
  Sterimol/B4: 5.23698  Sterimol/L: 11.4065 
 
 Surface and Volume Properties
  Accessible surface: 384.728  Positive charged surface: 256.07  Negative charged surface: 128.658  Volume: 164.625
  Hydrophobic surface: 106.004  Hydrophilic surface: 278.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03927523
SIAL-ZINC05274119