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


ENAMINE-ZINC03615275

MMsINC code: MMs01525032

Type: Neutral
Formula: C17H18Cl2N2O3S
SMILES:   Clc1cc(Cl)ccc1CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1
InChI:   InChI=1/C17H18Cl2N2O3S/c1-21(2)25(23,24)15-5-3-4-13(10-15)17(22)20-9-8-12-6-7-14(18)11-16(12)19/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)

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)=49.4067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.314 g/mol  logS: -4.74252  SlogP: 3.21617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497217  Sterimol/B1: 2.06631  Sterimol/B2: 3.6146  Sterimol/B3: 4.4762
  Sterimol/B4: 7.41895  Sterimol/L: 20.1016 
 
 Surface and Volume Properties
  Accessible surface: 645.47  Positive charged surface: 328.881  Negative charged surface: 316.589  Volume: 343.5
  Hydrophobic surface: 546.399  Hydrophilic surface: 99.071
 
 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.