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


NCID-ZINC05431211

 MMsINC code: MMs02460965
Type: Neutral
Formula: C9H14F3NO4
SMILES:   FC(F)(F)C(=O)NC1CC(OC(C)C1O)OC
InChI:   InChI=1/C9H14F3NO4/c1-4-7(14)5(3-6(16-2)17-4)13-8(15)9(10,11)12/h4-7,14H,3H2,1-2H3,(H,13,15)/t4-,5+,6+,7+/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)=76.7826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.208 g/mol  logS: -1.48739  SlogP: 0.5956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125262  Sterimol/B1: 2.25576  Sterimol/B2: 2.83778  Sterimol/B3: 4.36889
  Sterimol/B4: 6.01511  Sterimol/L: 12.2852 
 
 Surface and Volume Properties
  Accessible surface: 431.014  Positive charged surface: 251.244  Negative charged surface: 179.77  Volume: 205.375
  Hydrophobic surface: 199.764  Hydrophilic surface: 231.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.