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


PUBCHEM-ZINC03869171

 MMsINC code: MMs03078299
Type: Neutral
Formula: C6H13O9P
SMILES:   P(OC1C(O)C(O)C(O)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/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)=-9.03685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.135 g/mol  logS: 1.68828  SlogP: -4.7878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114844  Sterimol/B1: 3.24562  Sterimol/B2: 3.29727  Sterimol/B3: 4.16584
  Sterimol/B4: 4.21362  Sterimol/L: 12.1373 
 
 Surface and Volume Properties
  Accessible surface: 404.909  Positive charged surface: 257.18  Negative charged surface: 147.729  Volume: 189.125
  Hydrophobic surface: 74.5256  Hydrophilic surface: 330.3834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03078300
PUBCHEM-ZINC03869171