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


NCID-ZINC05493132

 MMsINC code: MMs02466571
Type: Neutral
Formula: C12H16F3NO6
SMILES:   FC(F)(F)C(=O)NC1CC(OC(C)C1OC(=O)C)OC(=O)C
InChI:   InChI=1/C12H16F3NO6/c1-5-10(22-7(3)18)8(16-11(19)12(13,14)15)4-9(20-5)21-6(2)17/h5,8-10H,4H2,1-3H3,(H,16,19)/t5-,8+,9-,10+/m0/s1

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)=73.128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.255 g/mol  logS: -2.37835  SlogP: 1.0831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103305  Sterimol/B1: 1.969  Sterimol/B2: 3.23544  Sterimol/B3: 5.05721
  Sterimol/B4: 8.01782  Sterimol/L: 14.1054 
 
 Surface and Volume Properties
  Accessible surface: 529.963  Positive charged surface: 263.814  Negative charged surface: 266.149  Volume: 260.625
  Hydrophobic surface: 275.118  Hydrophilic surface: 254.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.