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


PUBCHEM-ZINC06116570

 MMsINC code: MMs03545546
Type: Neutral
Formula: C13H10Cl2NO4P
SMILES:   ClC(Cl)P(Oc1ccc([N+](=O)[O-])cc1)(=O)c1ccccc1
InChI:   InChI=1/C13H10Cl2NO4P/c14-13(15)21(19,12-4-2-1-3-5-12)20-11-8-6-10(7-9-11)16(17)18/h1-9,13H/t21-/m1/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)=84.9472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.106 g/mol  logS: -4.64004  SlogP: 3.6881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937157  Sterimol/B1: 3.32964  Sterimol/B2: 3.52388  Sterimol/B3: 5.26582
  Sterimol/B4: 5.45734  Sterimol/L: 15.8372 
 
 Surface and Volume Properties
  Accessible surface: 505.426  Positive charged surface: 173.271  Negative charged surface: 332.155  Volume: 275.875
  Hydrophobic surface: 299.256  Hydrophilic surface: 206.17
 
 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.