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


ASINEX-ZINC04476480

 MMsINC code: MMs00340040
Type: Neutral
Formula: C16H23ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)NCCCOC)cc1
InChI:   InChI=1/C16H23ClN2O4S/c1-23-11-3-9-18-16(20)13-4-2-10-19(12-13)24(21,22)15-7-5-14(17)6-8-15/h5-8,13H,2-4,9-12H2,1H3,(H,18,20)/t13-/m1/s1

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)=24.9278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.889 g/mol  logS: -2.85857  SlogP: 1.8934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803526  Sterimol/B1: 3.56113  Sterimol/B2: 4.88902  Sterimol/B3: 5.75966
  Sterimol/B4: 5.95157  Sterimol/L: 17.3131 
 
 Surface and Volume Properties
  Accessible surface: 622.613  Positive charged surface: 401.452  Negative charged surface: 221.161  Volume: 335.375
  Hydrophobic surface: 517.818  Hydrophilic surface: 104.795
 
 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: no related molecules available.