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


PUBCHEM-ZINC04097378

 MMsINC code: MMs03090387
Type: Neutral
Formula: C4H8NO7P
SMILES:   P(OCC(=O)C(N)C(O)=O)(O)(O)=O
InChI:   InChI=1/C4H8NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h3H,1,5H2,(H,7,8)(H2,9,10,11)/t3-/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)=-37.4998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.082 g/mol  logS: 0.80587  SlogP: -2.9935  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0857642  Sterimol/B1: 2.95668  Sterimol/B2: 3.31155  Sterimol/B3: 3.47201
  Sterimol/B4: 4.36995  Sterimol/L: 11.524 
 
 Surface and Volume Properties
  Accessible surface: 375.564  Positive charged surface: 202.584  Negative charged surface: 172.979  Volume: 151
  Hydrophobic surface: 42.5746  Hydrophilic surface: 332.9894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  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:  
   

Ions/Tautomers related molecules


MMs03090388
PUBCHEM-ZINC04097378