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


PUBCHEM-ZINC02029729

 MMsINC code: MMs02858716
Type: Ionized
Formula: C4H10N3O4P-2
SMILES:   P(OCCN(C(N)=N)C)(=O)([O-])[O-]
InChI:   InChI=1/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)/p-2

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)=-50.989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.115 g/mol  logS: 0.46683  SlogP: -3.41323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108489  Sterimol/B1: 2.49751  Sterimol/B2: 2.65822  Sterimol/B3: 3.47614
  Sterimol/B4: 5.197  Sterimol/L: 10.4024 
 
 Surface and Volume Properties
  Accessible surface: 350.235  Positive charged surface: 198.879  Negative charged surface: 151.355  Volume: 154.25
  Hydrophobic surface: 127.804  Hydrophilic surface: 222.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 3  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:  
   
Parent related molecule:


MMs02858715
PUBCHEM-ZINC02029729