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


CHEMBLOCK-ZINC00092998

 MMsINC code: MMs00496640
Type: Neutral
Formula: C11H19F3N2O2
SMILES:   FC(F)(F)C(=O)NC1CC(N(O)C(C1)(C)C)(C)C
InChI:   InChI=1/C11H19F3N2O2/c1-9(2)5-7(6-10(3,4)16(9)18)15-8(17)11(12,13)14/h7,18H,5-6H2,1-4H3,(H,15,17)

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)=78.9554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.279 g/mol  logS: -2.27765  SlogP: 2.4956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207061  Sterimol/B1: 2.08034  Sterimol/B2: 3.20526  Sterimol/B3: 4.99389
  Sterimol/B4: 6.34829  Sterimol/L: 12.1228 
 
 Surface and Volume Properties
  Accessible surface: 449.074  Positive charged surface: 239.669  Negative charged surface: 209.405  Volume: 236.5
  Hydrophobic surface: 202.925  Hydrophilic surface: 246.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.