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


ALFAAESAR-ZINC05224774

 MMsINC code: MMs00025360
Type: Neutral
Formula: C4H10N3O5P
SMILES:   P(OC(=O)CN(C(N)=N)C)(O)(O)=O
InChI:   InChI=1/C4H10N3O5P/c1-7(4(5)6)2-3(8)12-13(9,10)11/h2H2,1H3,(H3,5,6)(H2,9,10,11)

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)=-81.3662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.114 g/mol  logS: 0.34434  SlogP: -2.62263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0988715  Sterimol/B1: 2.15786  Sterimol/B2: 3.19709  Sterimol/B3: 3.27999
  Sterimol/B4: 5.77342  Sterimol/L: 11.9694 
 
 Surface and Volume Properties
  Accessible surface: 383.554  Positive charged surface: 240.148  Negative charged surface: 143.406  Volume: 162.375
  Hydrophobic surface: 94.2302  Hydrophilic surface: 289.3238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.