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


MAYBRIDGE-ZINC01048995

 MMsINC code: MMs02157773
Type: Neutral
Formula: C10H11F3O6S3
SMILES:   S(=O)(=O)(C)c1c(S(=O)(=O)C)cc(cc1S(=O)(=O)C)C(F)(F)F
InChI:   InChI=1/C10H11F3O6S3/c1-20(14,15)7-4-6(10(11,12)13)5-8(21(2,16)17)9(7)22(3,18)19/h4-5H,1-3H3

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)=165.401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.384 g/mol  logS: -2.8635  SlogP: 1.2274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203283  Sterimol/B1: 3.10323  Sterimol/B2: 3.45938  Sterimol/B3: 4.29034
  Sterimol/B4: 7.79596  Sterimol/L: 10.9206 
 
 Surface and Volume Properties
  Accessible surface: 461.854  Positive charged surface: 155.684  Negative charged surface: 306.17  Volume: 250.875
  Hydrophobic surface: 221.496  Hydrophilic surface: 240.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.