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


NCID-ZINC01603711

MMsINC code: MMs02256349

Type: Neutral
Formula: C11H15O3P
SMILES:   P1(OCC(CO1)CC)(=O)c1ccccc1
InChI:   InChI=1/C11H15O3P/c1-2-10-8-13-15(12,14-9-10)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3/t10-,15-

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)=26.722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.212 g/mol  logS: -2.50284  SlogP: 1.5078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196985  Sterimol/B1: 2.52424  Sterimol/B2: 2.71463  Sterimol/B3: 4.58834
  Sterimol/B4: 6.56685  Sterimol/L: 12.1537 
 
 Surface and Volume Properties
  Accessible surface: 423.43  Positive charged surface: 268.67  Negative charged surface: 154.76  Volume: 212.125
  Hydrophobic surface: 358.4  Hydrophilic surface: 65.03
 
 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.