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


NCID-ZINC01869957

 MMsINC code: MMs02375954
Type: Tautomer
Formula: C8H11NS
SMILES:   S(CNC)c1ccccc1
InChI:   InChI=1/C8H11NS/c1-9-7-10-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3

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)=24.0106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.249 g/mol  logS: -1.87872  SlogP: 1.9556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887587  Sterimol/B1: 2.42512  Sterimol/B2: 3.89703  Sterimol/B3: 3.91165
  Sterimol/B4: 3.98165  Sterimol/L: 11.369 
 
 Surface and Volume Properties
  Accessible surface: 350.188  Positive charged surface: 227.13  Negative charged surface: 123.058  Volume: 159.25
  Hydrophobic surface: 288.413  Hydrophilic surface: 61.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:  
   
Parent related molecule:


MMs02375953
NCID-ZINC01869957