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


PUBCHEM-ZINC01445008

 MMsINC code: MMs02806318
Type: Neutral
Formula: C7H17O2P
SMILES:   P(OCC)(OCC)C(C)C
InChI:   InChI=1/C7H17O2P/c1-5-8-10(7(3)4)9-6-2/h7H,5-6H2,1-4H3

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)=18.8877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.185 g/mol  logS: -1.0697  SlogP: 2.7797  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.144371  Sterimol/B1: 3.08512  Sterimol/B2: 3.34585  Sterimol/B3: 3.42107
  Sterimol/B4: 5.91728  Sterimol/L: 12.0595 
 
 Surface and Volume Properties
  Accessible surface: 389.139  Positive charged surface: 292.544  Negative charged surface: 96.5945  Volume: 175.5
  Hydrophobic surface: 292.544  Hydrophilic surface: 96.595
 
 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.