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


PUBCHEM-ZINC05830216

 MMsINC code: MMs03405071
Type: Ionized
Formula: C3H9NO5P-
SMILES:   P(OCC([NH3+])CO)(=O)([O-])[O-]
InChI:   InChI=1/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/p-1/t3-/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)=-71.6403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.081 g/mol  logS: 1.21695  SlogP: -4.6357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164406  Sterimol/B1: 2.77335  Sterimol/B2: 3.1104  Sterimol/B3: 3.39404
  Sterimol/B4: 3.62101  Sterimol/L: 10.381 
 
 Surface and Volume Properties
  Accessible surface: 312.636  Positive charged surface: 183.48  Negative charged surface: 129.156  Volume: 125
  Hydrophobic surface: 101.567  Hydrophilic surface: 211.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 3  Basic groups: 1
  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:


MMs03405070
PUBCHEM-ZINC05830216