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


CHEMDIV-ZINC04484145

 MMsINC code: MMs00936411
Type: Neutral
Formula: C16H11FO5S
SMILES:   S(=O)(=O)(C1=Cc2c(OC1=O)c(OC)ccc2)c1ccccc1F
InChI:   InChI=1/C16H11FO5S/c1-21-12-7-4-5-10-9-14(16(18)22-15(10)12)23(19,20)13-8-3-2-6-11(13)17/h2-9H,1H3

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)=68.2693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.323 g/mol  logS: -5.11694  SlogP: 2.5681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10214  Sterimol/B1: 2.54936  Sterimol/B2: 4.23031  Sterimol/B3: 4.73864
  Sterimol/B4: 6.84516  Sterimol/L: 14.3719 
 
 Surface and Volume Properties
  Accessible surface: 513.457  Positive charged surface: 272.399  Negative charged surface: 241.058  Volume: 276.25
  Hydrophobic surface: 404.033  Hydrophilic surface: 109.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.