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


PUBCHEM-ZINC06311331

 MMsINC code: MMs03669872
Type: Neutral
Formula: C9H21O2P
SMILES:   P(=O)(CCC)(CCC)COCC
InChI:   InChI=1/C9H21O2P/c1-4-7-12(10,8-5-2)9-11-6-3/h4-9H2,1-3H3

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)=21.5916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.239 g/mol  logS: -0.33557  SlogP: 2.0933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107514  Sterimol/B1: 1.99667  Sterimol/B2: 3.2202  Sterimol/B3: 3.6293
  Sterimol/B4: 7.46544  Sterimol/L: 12.6907 
 
 Surface and Volume Properties
  Accessible surface: 429.328  Positive charged surface: 325.953  Negative charged surface: 103.376  Volume: 210.625
  Hydrophobic surface: 336.809  Hydrophilic surface: 92.519
 
 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.