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


PUBCHEM-ZINC01995634

 MMsINC code: MMs02838824
Type: Ionized
Formula: C5H11NO4P-
SMILES:   P(=O)([O-])(CC([NH3+])(C(=O)[O-])C)C
InChI:   InChI=1/C5H12NO4P/c1-5(6,4(7)8)3-11(2,9)10/h3,6H2,1-2H3,(H,7,8)(H,9,10)/p-1/t5-/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)=-26.1055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.12 g/mol  logS: 0.66637  SlogP: -4.0651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.303025  Sterimol/B1: 2.50562  Sterimol/B2: 3.57615  Sterimol/B3: 3.88847
  Sterimol/B4: 5.27204  Sterimol/L: 9.64959 
 
 Surface and Volume Properties
  Accessible surface: 336.868  Positive charged surface: 183.67  Negative charged surface: 153.198  Volume: 148.25
  Hydrophobic surface: 129.481  Hydrophilic surface: 207.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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:


MMs02838823
PUBCHEM-ZINC01995634