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


NCID-ZINC01722642

 MMsINC code: MMs02347080
Type: Neutral
Formula: C6H7Cl2NO5
SMILES:   ClC(Cl)C(=O)NC(CC(O)=O)C(O)=O
InChI:   InChI=1/C6H7Cl2NO5/c7-4(8)5(12)9-2(6(13)14)1-3(10)11/h2,4H,1H2,(H,9,12)(H,10,11)(H,13,14)/t2-/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)=30.1482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.03 g/mol  logS: -1.048  SlogP: 0.2541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123355  Sterimol/B1: 2.57469  Sterimol/B2: 3.42731  Sterimol/B3: 4.49693
  Sterimol/B4: 5.17633  Sterimol/L: 10.9747 
 
 Surface and Volume Properties
  Accessible surface: 391.665  Positive charged surface: 161.494  Negative charged surface: 230.171  Volume: 179.375
  Hydrophobic surface: 65.3839  Hydrophilic surface: 326.2811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02347081
NCID-ZINC01722642