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


PUBCHEM-ZINC03870803

 MMsINC code: MMs03079920
Type: Neutral
Formula: C6H16NO8P
SMILES:   P(OCC(O)C(O)C(O)C(N)CO)(O)(O)=O
InChI:   InChI=1/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/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)=-6.78401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.167 g/mol  logS: 1.94322  SlogP: -4.5722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0904528  Sterimol/B1: 2.57316  Sterimol/B2: 3.15322  Sterimol/B3: 3.85453
  Sterimol/B4: 5.02715  Sterimol/L: 14.1428 
 
 Surface and Volume Properties
  Accessible surface: 451.639  Positive charged surface: 287.681  Negative charged surface: 163.958  Volume: 205.625
  Hydrophobic surface: 93.9815  Hydrophilic surface: 357.6575
 
 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


MMs03079921
PUBCHEM-ZINC03870803