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


PUBCHEM-ZINC01845605

 MMsINC code: MMs02823823
Type: Neutral
Formula: C6H13O3P
SMILES:   P1(OCC(CO1)(C)C)(=O)C
InChI:   InChI=1/C6H13O3P/c1-6(2)4-8-10(3,7)9-5-6/h4-5H2,1-3H3

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)=14.3499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.141 g/mol  logS: -0.36553  SlogP: 0.8121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228108  Sterimol/B1: 3.62652  Sterimol/B2: 3.62664  Sterimol/B3: 3.70184
  Sterimol/B4: 3.70869  Sterimol/L: 10.0159 
 
 Surface and Volume Properties
  Accessible surface: 333.254  Positive charged surface: 222.05  Negative charged surface: 111.204  Volume: 150.125
  Hydrophobic surface: 219.903  Hydrophilic surface: 113.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.