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


ENAMINE-ZINC03431299

 MMsINC code: MMs01437788
Type: Neutral
Formula: C10H9F3N2O3S
SMILES:   S(=O)(=O)(N1CC(=O)NCC1)c1ccc(F)c(F)c1F
InChI:   InChI=1/C10H9F3N2O3S/c11-6-1-2-7(10(13)9(6)12)19(17,18)15-4-3-14-8(16)5-15/h1-2H,3-5H2,(H,14,16)

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)=37.4847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.253 g/mol  logS: -2.50479  SlogP: 0.2244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102918  Sterimol/B1: 2.924  Sterimol/B2: 2.99746  Sterimol/B3: 4.20617
  Sterimol/B4: 5.01374  Sterimol/L: 12.8125 
 
 Surface and Volume Properties
  Accessible surface: 424.67  Positive charged surface: 218.993  Negative charged surface: 205.677  Volume: 214
  Hydrophobic surface: 290.17  Hydrophilic surface: 134.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.