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


BACHEM-ZINC02384748

 MMsINC code: MMs00482842
Type: Neutral
Formula: C13H21F3N2O5
SMILES:   FC(F)(F)C(=O)NCCCCC(NC(OC(C)(C)C)=O)C(O)=O
InChI:   InChI=1/C13H21F3N2O5/c1-12(2,3)23-11(22)18-8(9(19)20)6-4-5-7-17-10(21)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t8-/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)=63.0379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.314 g/mol  logS: -2.67827  SlogP: 2.233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.045818  Sterimol/B1: 3.31592  Sterimol/B2: 3.55865  Sterimol/B3: 4.44727
  Sterimol/B4: 6.68422  Sterimol/L: 17.1671 
 
 Surface and Volume Properties
  Accessible surface: 597.493  Positive charged surface: 340.908  Negative charged surface: 256.585  Volume: 292.125
  Hydrophobic surface: 259.967  Hydrophilic surface: 337.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00482843
BACHEM-ZINC02384748