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


PUBCHEM-ZINC01989554

MMsINC code: MMs02838145

Type: Ionized
Formula: C19H14ClN2O4-
SMILES:   ClC1=C(Nc2ccc(cc2)C(=O)[O-])C(=O)N(C1=O)c1ccccc1CC
InChI:   InChI=1/C19H15ClN2O4/c1-2-11-5-3-4-6-14(11)22-17(23)15(20)16(18(22)24)21-13-9-7-12(8-10-13)19(25)26/h3-10,21H,2H2,1H3,(H,25,26)/p-1

Download   format file 
Drug Similarity  |  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)=89.4119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.784 g/mol  logS: -5.91567  SlogP: 2.15707  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0626519  Sterimol/B1: 2.33976  Sterimol/B2: 4.0872  Sterimol/B3: 5.76864
  Sterimol/B4: 7.16181  Sterimol/L: 16.5207 
 
 Surface and Volume Properties
  Accessible surface: 584.258  Positive charged surface: 259.335  Negative charged surface: 324.923  Volume: 327.5
  Hydrophobic surface: 416.553  Hydrophilic surface: 167.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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:  
   
Parent related molecule:


MMs02838144
PUBCHEM-ZINC01989554