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


PUBCHEM-ZINC03634871

 MMsINC code: MMs03029147
Type: Ionized
Formula: C11H15F3NO+
SMILES:   FC(F)(F)c1ccc(cc1)C(O)C([NH3+])(C)C
InChI:   InChI=1/C11H14F3NO/c1-10(2,15)9(16)7-3-5-8(6-4-7)11(12,13)14/h3-6,9,16H,15H2,1-2H3/p+1/t9-/m1/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)=58.6635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.241 g/mol  logS: -2.53384  SlogP: 2.1663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150537  Sterimol/B1: 3.29634  Sterimol/B2: 3.58621  Sterimol/B3: 3.62469
  Sterimol/B4: 3.98624  Sterimol/L: 12.4866 
 
 Surface and Volume Properties
  Accessible surface: 420.284  Positive charged surface: 228.198  Negative charged surface: 192.086  Volume: 209.125
  Hydrophobic surface: 205.918  Hydrophilic surface: 214.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  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:


MMs03029146
PUBCHEM-ZINC03634871