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


DSC-ZINC01445006

 MMsINC code: MMs01221663
Type: Neutral
Formula: C6H15O2P
SMILES:   P(OCC)(OCC)CC
InChI:   InChI=1/C6H15O2P/c1-4-7-9(6-3)8-5-2/h4-6H2,1-3H3

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)=11.3214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.158 g/mol  logS: -0.74249  SlogP: 2.3912  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0747962  Sterimol/B1: 2.68297  Sterimol/B2: 3.02695  Sterimol/B3: 3.25096
  Sterimol/B4: 5.87001  Sterimol/L: 12.0671 
 
 Surface and Volume Properties
  Accessible surface: 374.334  Positive charged surface: 292.339  Negative charged surface: 81.9955  Volume: 159.5
  Hydrophobic surface: 292.339  Hydrophilic surface: 81.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.