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


NCID-ZINC05502312

 MMsINC code: MMs02468999
Type: Neutral
Formula: C7H15O8P
SMILES:   P(O)(O)(=O)CC1OC(CO)C(O)C(O)C1O
InChI:   InChI=1/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,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)=34.7517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.163 g/mol  logS: 1.59766  SlogP: -4.0637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202674  Sterimol/B1: 2.79106  Sterimol/B2: 2.89531  Sterimol/B3: 4.05104
  Sterimol/B4: 6.39591  Sterimol/L: 11.7371 
 
 Surface and Volume Properties
  Accessible surface: 415.571  Positive charged surface: 296.384  Negative charged surface: 119.188  Volume: 199.75
  Hydrophobic surface: 125.093  Hydrophilic surface: 290.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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: no related molecules available.