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


PUBCHEM-ZINC06793676

 MMsINC code: MMs03861742
Type: Neutral
Formula: C13H12NO4P
SMILES:   P1(Oc2c(O1)cccc2)(=O)Nc1ccc(OC)cc1
InChI:   InChI=1/C13H12NO4P/c1-16-11-8-6-10(7-9-11)14-19(15)17-12-4-2-3-5-13(12)18-19/h2-9H,1H3,(H,14,15)

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)=53.3957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.216 g/mol  logS: -2.94157  SlogP: 2.6164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745395  Sterimol/B1: 2.82418  Sterimol/B2: 3.24592  Sterimol/B3: 4.59528
  Sterimol/B4: 5.48765  Sterimol/L: 15.5434 
 
 Surface and Volume Properties
  Accessible surface: 481.937  Positive charged surface: 280.64  Negative charged surface: 201.297  Volume: 239.625
  Hydrophobic surface: 390.917  Hydrophilic surface: 91.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.