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


PUBCHEM-ZINC03870123

 MMsINC code: MMs03079260
Type: Neutral
Formula: C4H10NO6P
SMILES:   P(OCCC(N)C(O)=O)(O)(O)=O
InChI:   InChI=1/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/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)=-55.1045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.099 g/mol  logS: 0.93545  SlogP: -2.1725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751059  Sterimol/B1: 2.52796  Sterimol/B2: 2.93193  Sterimol/B3: 3.73677
  Sterimol/B4: 4.08817  Sterimol/L: 12.2168 
 
 Surface and Volume Properties
  Accessible surface: 379.104  Positive charged surface: 225.874  Negative charged surface: 153.23  Volume: 150.875
  Hydrophobic surface: 76.9506  Hydrophilic surface: 302.1534
 
 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


MMs03079261
PUBCHEM-ZINC03870123