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


IBS-ZINC05531536

 MMsINC code: MMs01955165
Type: Neutral
Formula: C2H9NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)CN
InChI:   InChI=1/C2H9NO6P2/c3-1-2(10(4,5)6)11(7,8)9/h2H,1,3H2,(H2,4,5,6)(H2,7,8,9)

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)=-101.179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.043 g/mol  logS: 2.17641  SlogP: -3.5138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.274335  Sterimol/B1: 2.27241  Sterimol/B2: 2.92481  Sterimol/B3: 4.3009
  Sterimol/B4: 5.41806  Sterimol/L: 9.61843 
 
 Surface and Volume Properties
  Accessible surface: 327.23  Positive charged surface: 199.699  Negative charged surface: 127.53  Volume: 139.375
  Hydrophobic surface: 54.9287  Hydrophilic surface: 272.3013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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.