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


APOLLO-ZINC04100457

 MMsINC code: MMs00056762
Type: Neutral
Formula: C10H3F5O3S2
SMILES:   s1cccc1S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)=O
InChI:   InChI=1/C10H3F5O3S2/c11-5-6(12)8(14)10(9(15)7(5)13)18-20(16,17)4-2-1-3-19-4/h1-3H

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)=60.7343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.253 g/mol  logS: -4.92212  SlogP: 3.2113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762997  Sterimol/B1: 2.89242  Sterimol/B2: 3.57399  Sterimol/B3: 3.79483
  Sterimol/B4: 5.51508  Sterimol/L: 12.2018 
 
 Surface and Volume Properties
  Accessible surface: 418.815  Positive charged surface: 118.352  Negative charged surface: 300.463  Volume: 211.25
  Hydrophobic surface: 347.01  Hydrophilic surface: 71.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.