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


PUBCHEM-ZINC03870029

 MMsINC code: MMs03079179
Type: Neutral
Formula: C4H8NO7P
SMILES:   P(OC(=O)CC(N)C(O)=O)(O)(O)=O
InChI:   InChI=1/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/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)=-53.0585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.082 g/mol  logS: 0.98977  SlogP: -2.6459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0704894  Sterimol/B1: 2.52518  Sterimol/B2: 2.69154  Sterimol/B3: 3.89817
  Sterimol/B4: 4.17551  Sterimol/L: 12.3778 
 
 Surface and Volume Properties
  Accessible surface: 376.656  Positive charged surface: 208.863  Negative charged surface: 167.793  Volume: 151
  Hydrophobic surface: 52.673  Hydrophilic surface: 323.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  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:  
   

Ions/Tautomers related molecules: no related molecules available.