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


ASINEX-ZINC04851460

 MMsINC code: MMs00381985
Type: Neutral
Formula: C16H24ClN3O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(CN2CCN(CC2)C(=O)C)(C)C)cc1
InChI:   InChI=1/C16H24ClN3O3S/c1-13(21)20-10-8-19(9-11-20)12-16(2,3)18-24(22,23)15-6-4-14(17)5-7-15/h4-7,18H,8-12H2,1-3H3

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)=93.9395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.905 g/mol  logS: -2.73224  SlogP: 1.561  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101046  Sterimol/B1: 2.4716  Sterimol/B2: 3.53458  Sterimol/B3: 4.46119
  Sterimol/B4: 6.41641  Sterimol/L: 17.5691 
 
 Surface and Volume Properties
  Accessible surface: 572.372  Positive charged surface: 332.984  Negative charged surface: 239.388  Volume: 335.375
  Hydrophobic surface: 450.361  Hydrophilic surface: 122.011
 
 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


MMs00381986
ASINEX-ZINC04851460