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


PUBCHEM-ZINC03869808

 MMsINC code: MMs03078936
Type: Neutral
Formula: C7H15O10P
SMILES:   P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)(O)=O
InChI:   InChI=1/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5+,6+,7+/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)=11.2068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.161 g/mol  logS: 1.50577  SlogP: -4.9695  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0584911  Sterimol/B1: 3.21121  Sterimol/B2: 3.34699  Sterimol/B3: 3.57936
  Sterimol/B4: 3.69788  Sterimol/L: 15.6253 
 
 Surface and Volume Properties
  Accessible surface: 471.464  Positive charged surface: 282.262  Negative charged surface: 189.202  Volume: 218.75
  Hydrophobic surface: 112.772  Hydrophilic surface: 358.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 10  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


MMs03078937
PUBCHEM-ZINC03869808