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


PUBCHEM-ZINC03675970

 MMsINC code: MMs03038453
Type: Neutral
Formula: C17H14Cl2N2O3S
SMILES:   Clc1cc(ccc1Cl)-c1[nH]c2c(cc(S(=O)(=O)N(C)C)cc2)c1C=O
InChI:   InChI=1/C17H14Cl2N2O3S/c1-21(2)25(23,24)11-4-6-16-12(8-11)13(9-22)17(20-16)10-3-5-14(18)15(19)7-10/h3-9,20H,1-2H3

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)=59.2523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.282 g/mol  logS: -5.45821  SlogP: 4.2045  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0604976  Sterimol/B1: 2.43174  Sterimol/B2: 2.6361  Sterimol/B3: 4.84259
  Sterimol/B4: 6.36532  Sterimol/L: 18.093 
 
 Surface and Volume Properties
  Accessible surface: 594.702  Positive charged surface: 292.035  Negative charged surface: 296.824  Volume: 329.75
  Hydrophobic surface: 473.038  Hydrophilic surface: 121.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.