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


PUBCHEM-ZINC03158946

 MMsINC code: MMs03002913
Type: Neutral
Formula: C11H11ClN2O4
SMILES:   Clc1ccccc1C(=O)NNC(=O)CCC(O)=O
InChI:   InChI=1/C11H11ClN2O4/c12-8-4-2-1-3-7(8)11(18)14-13-9(15)5-6-10(16)17/h1-4H,5-6H2,(H,13,15)(H,14,18)(H,16,17)

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)=48.5491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.672 g/mol  logS: -2.30947  SlogP: 0.9658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00631277  Sterimol/B1: 2.37364  Sterimol/B2: 2.37661  Sterimol/B3: 2.55771
  Sterimol/B4: 6.52908  Sterimol/L: 16.8784 
 
 Surface and Volume Properties
  Accessible surface: 479.714  Positive charged surface: 245.129  Negative charged surface: 234.584  Volume: 227.5
  Hydrophobic surface: 290.916  Hydrophilic surface: 188.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03002914
PUBCHEM-ZINC03158946