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


PUBCHEM-ZINC01143021

 MMsINC code: MMs02778309
Type: Neutral
Formula: C23H22ClN3O4S
SMILES:   Clc1ccc(S(=O)(=O)N(Cc2ccccc2C)CC(=O)Nc2ccc(cc2)C(=O)N)cc1
InChI:   InChI=1/C23H22ClN3O4S/c1-16-4-2-3-5-18(16)14-27(32(30,31)21-12-8-19(24)9-13-21)15-22(28)26-20-10-6-17(7-11-20)23(25)29/h2-13H,14-15H2,1H3,(H2,25,29)(H,26,28)

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)=118.229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.965 g/mol  logS: -6.5231  SlogP: 3.84332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0953197  Sterimol/B1: 2.32534  Sterimol/B2: 4.12796  Sterimol/B3: 6.48769
  Sterimol/B4: 6.79345  Sterimol/L: 19.6607 
 
 Surface and Volume Properties
  Accessible surface: 684.094  Positive charged surface: 340.988  Negative charged surface: 343.106  Volume: 412.25
  Hydrophobic surface: 501.032  Hydrophilic surface: 183.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.