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


PUBCHEM-ZINC01530019

 MMsINC code: MMs02813209
Type: Neutral
Formula: C5H12NO4P
SMILES:   [PH](=O)(CCC(N)C(O)=O)CO
InChI:   InChI=1/C5H12NO4P/c6-4(5(8)9)1-2-11(10)3-7/h4,7,11H,1-3,6H2,(H,8,9)/t4-/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)=38.2055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.128 g/mol  logS: 0.89448  SlogP: -1.7723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0806201  Sterimol/B1: 2.88134  Sterimol/B2: 3.17907  Sterimol/B3: 3.54267
  Sterimol/B4: 4.15508  Sterimol/L: 12.5561 
 
 Surface and Volume Properties
  Accessible surface: 370.91  Positive charged surface: 223.78  Negative charged surface: 147.13  Volume: 156
  Hydrophobic surface: 137.002  Hydrophilic surface: 233.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  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.