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


NCID-ZINC01684849

 MMsINC code: MMs02318154
Type: Neutral
Formula: C11H15Cl3NO2P
SMILES:   ClCCN(P(Oc1ccccc1)(=O)CCl)CCCl
InChI:   InChI=1/C11H15Cl3NO2P/c12-6-8-15(9-7-13)18(16,10-14)17-11-4-2-1-3-5-11/h1-5H,6-10H2/t18-/m0/s1

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)=49.539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.579 g/mol  logS: -2.83311  SlogP: 3.1642  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.104561  Sterimol/B1: 3.48957  Sterimol/B2: 3.74467  Sterimol/B3: 4.65614
  Sterimol/B4: 5.51243  Sterimol/L: 14.3898 
 
 Surface and Volume Properties
  Accessible surface: 515.491  Positive charged surface: 214.707  Negative charged surface: 300.784  Volume: 271.75
  Hydrophobic surface: 294.179  Hydrophilic surface: 221.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.