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


PUBCHEM-ZINC01174307

 MMsINC code: MMs02783288
Type: Neutral
Formula: C20H23ClN2O4S
SMILES:   Clc1cc(N(S(=O)(=O)c2ccccc2)CC(=O)NCC2OCCC2)ccc1C
InChI:   InChI=1/C20H23ClN2O4S/c1-15-9-10-16(12-19(15)21)23(28(25,26)18-7-3-2-4-8-18)14-20(24)22-13-17-6-5-11-27-17/h2-4,7-10,12,17H,5-6,11,13-14H2,1H3,(H,22,24)/t17-/m1/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)=84.5953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.933 g/mol  logS: -4.88465  SlogP: 3.13892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686645  Sterimol/B1: 2.27329  Sterimol/B2: 3.2278  Sterimol/B3: 4.82343
  Sterimol/B4: 11.4183  Sterimol/L: 17.1735 
 
 Surface and Volume Properties
  Accessible surface: 688.371  Positive charged surface: 407.23  Negative charged surface: 281.141  Volume: 379.625
  Hydrophobic surface: 594.463  Hydrophilic surface: 93.908
 
 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.