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


MAYBRIDGE-ZINC00172294

 MMsINC code: MMs02146626
Type: Neutral
Formula: C15H10ClNOS
SMILES:   Clc1cc2c(scc2C(=O)Nc2ccccc2)cc1
InChI:   InChI=1/C15H10ClNOS/c16-10-6-7-14-12(8-10)13(9-19-14)15(18)17-11-4-2-1-3-5-11/h1-9H,(H,17,18)

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)=60.4786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.77 g/mol  logS: -5.58959  SlogP: 4.807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.015145  Sterimol/B1: 2.54489  Sterimol/B2: 2.79981  Sterimol/B3: 4.55021
  Sterimol/B4: 5.74348  Sterimol/L: 14.9584 
 
 Surface and Volume Properties
  Accessible surface: 488.384  Positive charged surface: 193.894  Negative charged surface: 289.667  Volume: 254.625
  Hydrophobic surface: 457.51  Hydrophilic surface: 30.874
 
 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:  
   

Ions/Tautomers related molecules: no related molecules available.