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


ENAMINE-ZINC00405695

 MMsINC code: MMs01229990
Type: Neutral
Formula: C17H14ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)N(C)c2c3c(ccc2)cccc3)cc1
InChI:   InChI=1/C17H14ClNO2S/c1-19(22(20,21)15-11-9-14(18)10-12-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3

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)=78.2787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.823 g/mol  logS: -5.73447  SlogP: 4.3183  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153481  Sterimol/B1: 2.19204  Sterimol/B2: 2.45464  Sterimol/B3: 5.48067
  Sterimol/B4: 8.20176  Sterimol/L: 13.2793 
 
 Surface and Volume Properties
  Accessible surface: 499.891  Positive charged surface: 237.738  Negative charged surface: 255.828  Volume: 291.875
  Hydrophobic surface: 446.827  Hydrophilic surface: 53.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.