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


DSC-ZINC02572427

 MMsINC code: MMs01221759
Type: Neutral
Formula: C6H5O4P
SMILES:   P1(Oc2c(O1)cccc2)(O)=O
InChI:   InChI=1/C6H5O4P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H,(H,7,8)

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)=3.37531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.076 g/mol  logS: -1.27942  SlogP: 0.488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0424821  Sterimol/B1: 2.44095  Sterimol/B2: 3.31041  Sterimol/B3: 3.48969
  Sterimol/B4: 4.57099  Sterimol/L: 10.3947 
 
 Surface and Volume Properties
  Accessible surface: 318.586  Positive charged surface: 141.198  Negative charged surface: 177.388  Volume: 130.75
  Hydrophobic surface: 181.603  Hydrophilic surface: 136.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.