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


SIAL-ZINC04529997

 MMsINC code: MMs03917311
Type: Neutral
Formula: C2H6NO5P
SMILES:   P(O)(O)(=O)CNC(O)=O
InChI:   InChI=1/C2H6NO5P/c4-2(5)3-1-9(6,7)8/h3H,1H2,(H,4,5)(H2,6,7,8)

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)=-55.1199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.046 g/mol  logS: 1.53642  SlogP: -1.681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144034  Sterimol/B1: 2.42693  Sterimol/B2: 2.50852  Sterimol/B3: 4.14089
  Sterimol/B4: 4.1845  Sterimol/L: 10.0132 
 
 Surface and Volume Properties
  Accessible surface: 295.875  Positive charged surface: 171.798  Negative charged surface: 124.077  Volume: 107.875
  Hydrophobic surface: 43.3376  Hydrophilic surface: 252.5374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.