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


PUBCHEM-ZINC05131924

 MMsINC code: MMs03206854
Type: Ionized
Formula: C5H10N2O6P-
SMILES:   P(O)(O)(=O)CNC(CC(=O)N)C(=O)[O-]
InChI:   InChI=1/C5H11N2O6P/c6-4(8)1-3(5(9)10)7-2-14(11,12)13/h3,7H,1-2H2,(H2,6,8)(H,9,10)(H2,11,12,13)/p-1/t3-/m1/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)=-6.0789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.117 g/mol  logS: 1.18977  SlogP: -4.3651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125001  Sterimol/B1: 2.9821  Sterimol/B2: 3.10219  Sterimol/B3: 4.49658
  Sterimol/B4: 4.70343  Sterimol/L: 10.6624 
 
 Surface and Volume Properties
  Accessible surface: 372.8  Positive charged surface: 204.818  Negative charged surface: 167.983  Volume: 167.75
  Hydrophobic surface: 76.4846  Hydrophilic surface: 296.3154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs03206853
PUBCHEM-ZINC05131924