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


NANOSIN-ZINC00616529

 MMsINC code: MMs02192868
Type: Ionized
Formula: C10H8NO2S-
SMILES:   S(=O)([O-])(=[NH])c1c2c(ccc1)cccc2
InChI:   InChI=1/C10H8NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H-,11,12,13)/q-1

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)=41.5918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.245 g/mol  logS: -3.51376  SlogP: 1.8114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519447  Sterimol/B1: 3.12256  Sterimol/B2: 3.29487  Sterimol/B3: 3.57738
  Sterimol/B4: 5.64077  Sterimol/L: 11.064 
 
 Surface and Volume Properties
  Accessible surface: 370.098  Positive charged surface: 142.75  Negative charged surface: 216.558  Volume: 179.625
  Hydrophobic surface: 269.4  Hydrophilic surface: 100.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 3  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:


MMs02192867
NANOSIN-ZINC00616529