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


ENAMINE-ZINC03360704

 MMsINC code: MMs01395714
Type: Neutral
Formula: C20H24ClN3O5S
SMILES:   Clc1ccc(S(=O)(=O)N(CC)CC)cc1C(=O)NNC(=O)COc1ccccc1C
InChI:   InChI=1/C20H24ClN3O5S/c1-4-24(5-2)30(27,28)15-10-11-17(21)16(12-15)20(26)23-22-19(25)13-29-18-9-7-6-8-14(18)3/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26)

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)=98.1431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.947 g/mol  logS: -5.12296  SlogP: 2.51892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291165  Sterimol/B1: 2.24317  Sterimol/B2: 3.37239  Sterimol/B3: 5.53886
  Sterimol/B4: 8.58876  Sterimol/L: 20.8475 
 
 Surface and Volume Properties
  Accessible surface: 727.691  Positive charged surface: 397.96  Negative charged surface: 329.732  Volume: 400.75
  Hydrophobic surface: 540.501  Hydrophilic surface: 187.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.