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


APOLLO-ZINC00125994

 MMsINC code: MMs00043154
Type: Ionized
Formula: C10H8NO2S3-
SMILES:   s1c(Sc2ccccc2)ccc1S(=O)([O-])=[NH]
InChI:   InChI=1/C10H8NO2S3/c11-16(12,13)10-7-6-9(15-10)14-8-4-2-1-3-5-8/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)=32.4522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.377 g/mol  logS: -4.75741  SlogP: 2.8709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147697  Sterimol/B1: 3.16268  Sterimol/B2: 3.61147  Sterimol/B3: 4.66028
  Sterimol/B4: 5.35371  Sterimol/L: 12.6671 
 
 Surface and Volume Properties
  Accessible surface: 448.621  Positive charged surface: 168.249  Negative charged surface: 280.371  Volume: 221.375
  Hydrophobic surface: 338.165  Hydrophilic surface: 110.456
 
 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:


MMs00043153
APOLLO-ZINC00125994