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


NCID-ZINC01608047

 MMsINC code: MMs02259612
Type: Neutral
Formula: C3H7NO4P-
SMILES:   [PH](O)(=O)CC(N)C(=O)[O-]
InChI:   InChI=1/C3H8NO4P/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)(H,7,8)/p-1/t2-/m0/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)=5.98439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.066 g/mol  logS: 0.42938  SlogP: -3.5396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14341  Sterimol/B1: 2.58063  Sterimol/B2: 3.20449  Sterimol/B3: 3.75553
  Sterimol/B4: 4.02091  Sterimol/L: 10.2473 
 
 Surface and Volume Properties
  Accessible surface: 301.994  Positive charged surface: 142.888  Negative charged surface: 159.106  Volume: 117.875
  Hydrophobic surface: 72.7386  Hydrophilic surface: 229.2554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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.