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


PUBCHEM-ZINC05830108

 MMsINC code: MMs03404994
Type: Neutral
Formula: C3H10NO6P
SMILES:   P(OCC(O)(N)CO)(O)(O)=O
InChI:   InChI=1/C3H10NO6P/c4-3(6,1-5)2-10-11(7,8)9/h5-6H,1-2,4H2,(H2,7,8,9)/t3-/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)=-47.9184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.088 g/mol  logS: 1.48218  SlogP: -3.3349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119112  Sterimol/B1: 2.79424  Sterimol/B2: 2.91295  Sterimol/B3: 3.8281
  Sterimol/B4: 3.94586  Sterimol/L: 11.6741 
 
 Surface and Volume Properties
  Accessible surface: 352.979  Positive charged surface: 221.814  Negative charged surface: 131.166  Volume: 139.75
  Hydrophobic surface: 61.5914  Hydrophilic surface: 291.3876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs03404995
PUBCHEM-ZINC05830108