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


NCID-ZINC01667515

 MMsINC code: MMs02303675
Type: Neutral
Formula: C5H11O3P
SMILES:   P1(OC(CO1)C)OCC
InChI:   InChI=1/C5H11O3P/c1-3-6-9-7-4-5(2)8-9/h5H,3-4H2,1-2H3/t5-/m0/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)=8.94273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.114 g/mol  logS: -0.81868  SlogP: 1.6851  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0711964  Sterimol/B1: 2.53532  Sterimol/B2: 2.8233  Sterimol/B3: 3.61975
  Sterimol/B4: 3.79687  Sterimol/L: 11.6627 
 
 Surface and Volume Properties
  Accessible surface: 342.33  Positive charged surface: 265.832  Negative charged surface: 76.4981  Volume: 136.5
  Hydrophobic surface: 233.252  Hydrophilic surface: 109.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.