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


PUBCHEM-ZINC06031954

 MMsINC code: MMs03504624
Type: Neutral
Formula: C4H10NO4P
SMILES:   [PH](O)(=O)C(N)(CC(O)=O)C
InChI:   InChI=1/C4H10NO4P/c1-4(5,10(8)9)2-3(6)7/h10H,2,5H2,1H3,(H,6,7)(H,8,9)/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)=18.4832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.101 g/mol  logS: 0.42474  SlogP: -1.4672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245032  Sterimol/B1: 2.09322  Sterimol/B2: 2.57138  Sterimol/B3: 4.09655
  Sterimol/B4: 5.26  Sterimol/L: 10.7119 
 
 Surface and Volume Properties
  Accessible surface: 320.802  Positive charged surface: 178.381  Negative charged surface: 142.421  Volume: 135.625
  Hydrophobic surface: 91.6216  Hydrophilic surface: 229.1804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.