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


PUBCHEM-ZINC03171605

 MMsINC code: MMs03004725
Type: Neutral
Formula: C12H11Cl2NO6P2
SMILES:   Clc1ccc(OP(Oc2ccc(Cl)cc2)(=O)NP(O)(O)=O)cc1
InChI:   InChI=1/C12H11Cl2NO6P2/c13-9-1-5-11(6-2-9)20-23(19,15-22(16,17)18)21-12-7-3-10(14)4-8-12/h1-8H,(H3,15,16,17,18,19)

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)=-82.5561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.075 g/mol  logS: -3.90645  SlogP: 2.1012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129547  Sterimol/B1: 3.58702  Sterimol/B2: 3.63075  Sterimol/B3: 3.90709
  Sterimol/B4: 8.41431  Sterimol/L: 14.6811 
 
 Surface and Volume Properties
  Accessible surface: 559.514  Positive charged surface: 225.526  Negative charged surface: 333.988  Volume: 295.25
  Hydrophobic surface: 396.307  Hydrophilic surface: 163.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.