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


ACROSORGANICS-ZINC00391873

 MMsINC code: MMs00007330
Type: Neutral
Formula: C6H7O2P
SMILES:   [PH](O)(=O)c1ccccc1
InChI:   InChI=1/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,9H,(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)=7.8216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.094 g/mol  logS: -1.44683  SlogP: -0.2913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434383  Sterimol/B1: 2.32995  Sterimol/B2: 2.86309  Sterimol/B3: 3.58296
  Sterimol/B4: 3.9127  Sterimol/L: 10.0933 
 
 Surface and Volume Properties
  Accessible surface: 311.556  Positive charged surface: 133.213  Negative charged surface: 178.343  Volume: 127
  Hydrophobic surface: 221.233  Hydrophilic surface: 90.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.