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


PUBCHEM-ZINC03130273

 MMsINC code: MMs02998379
Type: Neutral
Formula: C9H19O4P
SMILES:   P(OCC)(OCC)(=O)C(=O)C(C)(C)C
InChI:   InChI=1/C9H19O4P/c1-6-12-14(11,13-7-2)8(10)9(3,4)5/h6-7H2,1-5H3

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)=34.6716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.221 g/mol  logS: -1.26578  SlogP: 1.755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132788  Sterimol/B1: 2.10304  Sterimol/B2: 2.99951  Sterimol/B3: 3.95162
  Sterimol/B4: 7.96553  Sterimol/L: 12.4128 
 
 Surface and Volume Properties
  Accessible surface: 446.519  Positive charged surface: 302.468  Negative charged surface: 144.051  Volume: 218.75
  Hydrophobic surface: 294.467  Hydrophilic surface: 152.052
 
 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.