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


KEYORGANICS-ZINC04092410

 MMsINC code: MMs02122569
Type: Ionized
Formula: C10H20F3NO3
SMILES:   FC(F)(F)C([O-])C[NH2+]CCC(OCC)OCC
InChI:   InChI=1/C10H19F3NO3/c1-3-16-9(17-4-2)5-6-14-7-8(15)10(11,12)13/h8-9,14H,3-7H2,1-2H3/q-1/p+1/t8-/m1/s1

Download   format file 
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)=6.29089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.268 g/mol  logS: -1.30726  SlogP: 1.1203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524297  Sterimol/B1: 2.29275  Sterimol/B2: 2.66212  Sterimol/B3: 3.64284
  Sterimol/B4: 7.85825  Sterimol/L: 15.4738 
 
 Surface and Volume Properties
  Accessible surface: 505.744  Positive charged surface: 316.782  Negative charged surface: 188.962  Volume: 234
  Hydrophobic surface: 296.231  Hydrophilic surface: 209.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 1  Basic groups: 1
  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:  
   
Parent related molecule:


MMs02122568
KEYORGANICS-ZINC04092410