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


CHEMBLOCK-ZINC03075226

 MMsINC code: MMs00535220
Type: Neutral
Formula: C6H17NO6P2
SMILES:   P(O)(O)(=O)CN(CCCC)CP(O)(O)=O
InChI:   InChI=1/C6H17NO6P2/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)

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)=-17.6638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.151 g/mol  logS: 1.39541  SlogP: -1.7815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151631  Sterimol/B1: 2.99743  Sterimol/B2: 3.9161  Sterimol/B3: 5.02861
  Sterimol/B4: 5.71883  Sterimol/L: 11.8391 
 
 Surface and Volume Properties
  Accessible surface: 451.169  Positive charged surface: 288.03  Negative charged surface: 163.139  Volume: 212.75
  Hydrophobic surface: 185.545  Hydrophilic surface: 265.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.