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


PUBCHEM-ZINC03869326

 MMsINC code: MMs03078460
Type: Ionized
Formula: C5H10NO7P-2
SMILES:   P(OCC1OC(N)C(O)C1O)(=O)([O-])[O-]
InChI:   InChI=1/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/p-2/t2-,3+,4-,5+/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)=27.9221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.109 g/mol  logS: 1.22289  SlogP: -4.8331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16483  Sterimol/B1: 2.52438  Sterimol/B2: 3.47586  Sterimol/B3: 3.91012
  Sterimol/B4: 4.5186  Sterimol/L: 11.2614 
 
 Surface and Volume Properties
  Accessible surface: 373.291  Positive charged surface: 184.349  Negative charged surface: 188.942  Volume: 165.75
  Hydrophobic surface: 89.418  Hydrophilic surface: 283.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 3  Basic groups: 0
  Chiral centers: 4
 
 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:  
   
Parent related molecule:


MMs03078459
PUBCHEM-ZINC03869326