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


PUBCHEM-ZINC02032567

 MMsINC code: MMs02859485
Type: Neutral
Formula: C11H14F3NO
SMILES:   FC(F)(F)c1cc(ccc1)C(O)CNCC
InChI:   InChI=1/C11H14F3NO/c1-2-15-7-10(16)8-4-3-5-9(6-8)11(12,13)14/h3-6,10,15-16H,2,7H2,1H3/t10-/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)=53.0349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.233 g/mol  logS: -2.3066  SlogP: 2.7553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690498  Sterimol/B1: 2.71682  Sterimol/B2: 3.67252  Sterimol/B3: 3.73122
  Sterimol/B4: 4.77971  Sterimol/L: 14.0831 
 
 Surface and Volume Properties
  Accessible surface: 445.91  Positive charged surface: 238.149  Negative charged surface: 207.761  Volume: 210
  Hydrophobic surface: 260.807  Hydrophilic surface: 185.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02859486
PUBCHEM-ZINC02032567