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


NCID-ZINC01737465

 MMsINC code: MMs02358423
Type: Neutral
Formula: C15H23Cl2O3P
SMILES:   Clc1cc(Cl)ccc1CP(OCCCC)(OCCCC)=O
InChI:   InChI=1/C15H23Cl2O3P/c1-3-5-9-19-21(18,20-10-6-4-2)12-13-7-8-14(16)11-15(13)17/h7-8,11H,3-6,9-10,12H2,1-2H3

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)=28.722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.226 g/mol  logS: -4.93626  SlogP: 5.5161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735637  Sterimol/B1: 3.2142  Sterimol/B2: 3.51269  Sterimol/B3: 4.21272
  Sterimol/B4: 9.2255  Sterimol/L: 17.606 
 
 Surface and Volume Properties
  Accessible surface: 626.124  Positive charged surface: 366.348  Negative charged surface: 259.776  Volume: 324.375
  Hydrophobic surface: 549.775  Hydrophilic surface: 76.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.