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


NCID-ZINC04974701

 MMsINC code: MMs02422742
Type: Neutral
Formula: C19H17O2P
SMILES:   [PH](O)(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H17O2P/c20-22(21)19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,22H,(H,20,21)

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)=112.877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.317 g/mol  logS: -4.92667  SlogP: 3.6868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.42686  Sterimol/B1: 2.59802  Sterimol/B2: 2.72533  Sterimol/B3: 6.07076
  Sterimol/B4: 9.34799  Sterimol/L: 11.6832 
 
 Surface and Volume Properties
  Accessible surface: 507.71  Positive charged surface: 268.39  Negative charged surface: 239.32  Volume: 295.625
  Hydrophobic surface: 439.051  Hydrophilic surface: 68.659
 
 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.