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


PUBCHEM-ZINC03096033

 MMsINC code: MMs02992945
Type: Neutral
Formula: C9H20NO4P
SMILES:   P(OCC)(OCC)(=O)CN(C(=O)C)CC
InChI:   InChI=1/C9H20NO4P/c1-5-10(9(4)11)8-15(12,13-6-2)14-7-3/h5-8H2,1-4H3

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)=31.8533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.236 g/mol  logS: -0.37245  SlogP: 1.0082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867394  Sterimol/B1: 2.85234  Sterimol/B2: 3.14555  Sterimol/B3: 3.63019
  Sterimol/B4: 7.14019  Sterimol/L: 12.7417 
 
 Surface and Volume Properties
  Accessible surface: 477.295  Positive charged surface: 343.135  Negative charged surface: 134.159  Volume: 229.75
  Hydrophobic surface: 354.649  Hydrophilic surface: 122.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.