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


PUBCHEM-ZINC01995632

 MMsINC code: MMs02838820
Type: Ionized
Formula: C4H9NO5P-
SMILES:   P(O)(O)(=O)C(N)(CC(=O)[O-])C
InChI:   InChI=1/C4H10NO5P/c1-4(5,2-3(6)7)11(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)/p-1/t4-/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)=-24.9591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.092 g/mol  logS: 0.86624  SlogP: -3.0912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.377307  Sterimol/B1: 2.25453  Sterimol/B2: 2.44788  Sterimol/B3: 4.40681
  Sterimol/B4: 4.49182  Sterimol/L: 10.0182 
 
 Surface and Volume Properties
  Accessible surface: 321.946  Positive charged surface: 156.735  Negative charged surface: 165.211  Volume: 139.875
  Hydrophobic surface: 63.8521  Hydrophilic surface: 258.0939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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:


MMs02838819
PUBCHEM-ZINC01995632