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


NCID-ZINC01849685

 MMsINC code: MMs02371463
Type: Neutral
Formula: C9H11O5P
SMILES:   P(O)(O)(=O)CC(OCc1ccccc1)=O
InChI:   InChI=1/C9H11O5P/c10-9(7-15(11,12)13)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13)

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)=-31.3124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.156 g/mol  logS: -1.09709  SlogP: 0.1037  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0815444  Sterimol/B1: 2.72253  Sterimol/B2: 3.32936  Sterimol/B3: 3.84682
  Sterimol/B4: 4.28399  Sterimol/L: 13.5093 
 
 Surface and Volume Properties
  Accessible surface: 440.111  Positive charged surface: 234.356  Negative charged surface: 205.755  Volume: 195.625
  Hydrophobic surface: 264.112  Hydrophilic surface: 175.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.