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


CHEMDIV-ZINC04758395

 MMsINC code: MMs00947619
Type: Neutral
Formula: C23H24ClN3O3S2
SMILES:   Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CNS(=O)(=O)c1sccc1)c1ccccc1
InChI:   InChI=1/C23H24ClN3O3S2/c24-20-10-8-19(9-11-20)23(18-5-2-1-3-6-18)27-14-12-26(13-15-27)21(28)17-25-32(29,30)22-7-4-16-31-22/h1-11,16,23,25H,12-15,17H2/t23-/m0/s1

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)=106.729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.048 g/mol  logS: -5.57127  SlogP: 3.7091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0782256  Sterimol/B1: 2.48596  Sterimol/B2: 3.39802  Sterimol/B3: 5.35077
  Sterimol/B4: 10.1884  Sterimol/L: 18.4108 
 
 Surface and Volume Properties
  Accessible surface: 741.517  Positive charged surface: 375.569  Negative charged surface: 365.948  Volume: 434.5
  Hydrophobic surface: 625.538  Hydrophilic surface: 115.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00947620
CHEMDIV-ZINC04758395