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


PUBCHEM-ZINC00973398

 MMsINC code: MMs02747068
Type: Neutral
Formula: C20H18ClNO4S2
SMILES:   Clc1ccc(S(=O)(=O)c2cc(S(=O)(=O)NCc3ccccc3)c(cc2)C)cc1
InChI:   InChI=1/C20H18ClNO4S2/c1-15-7-10-19(27(23,24)18-11-8-17(21)9-12-18)13-20(15)28(25,26)22-14-16-5-3-2-4-6-16/h2-13,22H,14H2,1H3

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)=58.008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.952 g/mol  logS: -5.85007  SlogP: 4.22612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732839  Sterimol/B1: 2.61914  Sterimol/B2: 3.22624  Sterimol/B3: 6.27292
  Sterimol/B4: 6.6702  Sterimol/L: 20.0437 
 
 Surface and Volume Properties
  Accessible surface: 662.953  Positive charged surface: 277.325  Negative charged surface: 385.628  Volume: 372.25
  Hydrophobic surface: 528.261  Hydrophilic surface: 134.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.