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


PUBCHEM-ZINC02047450

 MMsINC code: MMs02865392
Type: Neutral
Formula: C4H10NO3P
SMILES:   P(O)(=O)(N)\C=C\OCC
InChI:   InChI=1/C4H10NO3P/c1-2-8-3-4-9(5,6)7/h3-4H,2H2,1H3,(H3,5,6,7)/b4-3+

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)=-28.8196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.102 g/mol  logS: 0.51505  SlogP: -0.432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735096  Sterimol/B1: 2.60638  Sterimol/B2: 3.0344  Sterimol/B3: 3.42657
  Sterimol/B4: 4.04056  Sterimol/L: 11.8336 
 
 Surface and Volume Properties
  Accessible surface: 348.427  Positive charged surface: 216.159  Negative charged surface: 132.268  Volume: 134.5
  Hydrophobic surface: 153.062  Hydrophilic surface: 195.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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: no related molecules available.