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


ENAMINE-ZINC03348088

 MMsINC code: MMs01387644
Type: Neutral
Formula: C14H9Cl2N3O4S
SMILES:   Clc1cc(Cl)cnc1NC(=O)CN1S(=O)(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C14H9Cl2N3O4S/c15-8-5-10(16)13(17-6-8)18-12(20)7-19-14(21)9-3-1-2-4-11(9)24(19,22)23/h1-6H,7H2,(H,17,18,20)

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)=55.7728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.215 g/mol  logS: -4.3446  SlogP: 2.1716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711018  Sterimol/B1: 3.10706  Sterimol/B2: 3.70476  Sterimol/B3: 4.85269
  Sterimol/B4: 5.52412  Sterimol/L: 16.6788 
 
 Surface and Volume Properties
  Accessible surface: 567.666  Positive charged surface: 235.036  Negative charged surface: 332.63  Volume: 293.25
  Hydrophobic surface: 415.917  Hydrophilic surface: 151.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: no related molecules available.