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


PUBCHEM-ZINC01593181

 MMsINC code: MMs02815721
Type: Neutral
Formula: C10H9O3P
SMILES:   P(O)(O)(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C10H9O3P/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(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)=-3.12114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.153 g/mol  logS: -2.62276  SlogP: 0.5726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473062  Sterimol/B1: 2.53455  Sterimol/B2: 3.37948  Sterimol/B3: 3.63002
  Sterimol/B4: 6.41816  Sterimol/L: 10.7906 
 
 Surface and Volume Properties
  Accessible surface: 381.365  Positive charged surface: 179.679  Negative charged surface: 190.614  Volume: 181.5
  Hydrophobic surface: 255.471  Hydrophilic surface: 125.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.