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


ENAMINE-ZINC03227331

 MMsINC code: MMs01317001
Type: Neutral
Formula: C17H15Cl2O2P
SMILES:   Cl\C(=C/P(OC)(=O)\C=C(/Cl)\c1ccccc1)\c1ccccc1
InChI:   InChI=1/C17H15Cl2O2P/c1-21-22(20,12-16(18)14-8-4-2-5-9-14)13-17(19)15-10-6-3-7-11-15/h2-13H,1H3/b16-12-,17-13-

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)=94.2304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.185 g/mol  logS: -5.09942  SlogP: 5.3155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762985  Sterimol/B1: 2.28464  Sterimol/B2: 3.68913  Sterimol/B3: 4.82338
  Sterimol/B4: 8.14955  Sterimol/L: 16.7781 
 
 Surface and Volume Properties
  Accessible surface: 577.152  Positive charged surface: 288.176  Negative charged surface: 288.976  Volume: 315.375
  Hydrophobic surface: 546.37  Hydrophilic surface: 30.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.