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


NCID-ZINC04565581

 MMsINC code: MMs02391375
Type: Neutral
Formula: C16H20F3NO10
SMILES:   FC(F)(F)C(=O)NC1C(OC(=O)C)C(OC(=O)C)C(OC1OC(=O)C)COC(=O)C
InChI:   InChI=1/C16H20F3NO10/c1-6(21)26-5-10-12(27-7(2)22)13(28-8(3)23)11(14(30-10)29-9(4)24)20-15(25)16(17,18)19/h10-14H,5H2,1-4H3,(H,20,25)/t10-,11-,12-,13+,14+/m0/s1

Download   format file 
Drug Similarity  |  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)=102.218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.327 g/mol  logS: -2.68043  SlogP: 0.1679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.290057  Sterimol/B1: 2.29752  Sterimol/B2: 4.49286  Sterimol/B3: 5.03828
  Sterimol/B4: 8.90957  Sterimol/L: 15.091 
 
 Surface and Volume Properties
  Accessible surface: 660.891  Positive charged surface: 335.165  Negative charged surface: 325.726  Volume: 350
  Hydrophobic surface: 385.076  Hydrophilic surface: 275.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.