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


PUBCHEM-ZINC01205166

 MMsINC code: MMs02787494
Type: Neutral
Formula: C11H11Cl2NO2
SMILES:   ClC1(Cl)CC1Cc1ccc(cc1[N+](=O)[O-])C
InChI:   InChI=1/C11H11Cl2NO2/c1-7-2-3-8(10(4-7)14(15)16)5-9-6-11(9,12)13/h2-4,9H,5-6H2,1H3/t9-/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)=61.6279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.12 g/mol  logS: -4.69752  SlogP: 4.05939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907728  Sterimol/B1: 3.44201  Sterimol/B2: 3.8346  Sterimol/B3: 3.94601
  Sterimol/B4: 5.64036  Sterimol/L: 11.9419 
 
 Surface and Volume Properties
  Accessible surface: 442.407  Positive charged surface: 172.712  Negative charged surface: 269.695  Volume: 224.25
  Hydrophobic surface: 242.969  Hydrophilic surface: 199.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.