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


ENAMINE-ZINC03357476

 MMsINC code: MMs01393703
Type: Neutral
Formula: C24H23Cl3N2O3S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(C(C)c1ccccc1)CC(=O)NCCc1ccc(Cl)cc1
InChI:   InChI=1/C24H23Cl3N2O3S/c1-17(19-5-3-2-4-6-19)29(33(31,32)23-15-21(26)11-12-22(23)27)16-24(30)28-14-13-18-7-9-20(25)10-8-18/h2-12,15,17H,13-14,16H2,1H3,(H,28,30)/t17-/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)=112.401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 525.884 g/mol  logS: -7.59836  SlogP: 5.85307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774697  Sterimol/B1: 3.17132  Sterimol/B2: 3.99526  Sterimol/B3: 6.00123
  Sterimol/B4: 9.51771  Sterimol/L: 19.9552 
 
 Surface and Volume Properties
  Accessible surface: 749.581  Positive charged surface: 344.895  Negative charged surface: 404.686  Volume: 449.625
  Hydrophobic surface: 653.994  Hydrophilic surface: 95.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.