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


ENAMINE-ZINC03561992

 MMsINC code: MMs01509481
Type: Neutral
Formula: C18H18ClNO4S
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(Oc1ccccc1)=O
InChI:   InChI=1/C18H18ClNO4S/c19-16-10-9-14(18(21)24-15-7-3-1-4-8-15)13-17(16)25(22,23)20-11-5-2-6-12-20/h1,3-4,7-10,13H,2,5-6,11-12H2

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)=71.4243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.864 g/mol  logS: -4.90094  SlogP: 3.7338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557929  Sterimol/B1: 3.4446  Sterimol/B2: 3.89198  Sterimol/B3: 3.92399
  Sterimol/B4: 6.19912  Sterimol/L: 18.1491 
 
 Surface and Volume Properties
  Accessible surface: 596.882  Positive charged surface: 330.209  Negative charged surface: 266.673  Volume: 329.375
  Hydrophobic surface: 512.71  Hydrophilic surface: 84.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.