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


ENAMINE-ZINC02662152

 MMsINC code: MMs01282935
Type: Neutral
Formula: C17H14ClNO2S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1
InChI:   InChI=1/C17H14ClNO2S2/c18-16-10-11-17(22-16)23(20,21)19-15-9-5-4-8-14(15)12-13-6-2-1-3-7-13/h1-11,19H,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)=70.6351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.889 g/mol  logS: -5.86021  SlogP: 4.79307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.396699  Sterimol/B1: 3.19283  Sterimol/B2: 4.86679  Sterimol/B3: 5.39679
  Sterimol/B4: 6.85666  Sterimol/L: 11.1043 
 
 Surface and Volume Properties
  Accessible surface: 507.246  Positive charged surface: 217.363  Negative charged surface: 289.883  Volume: 310.875
  Hydrophobic surface: 435.024  Hydrophilic surface: 72.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.