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


PUBCHEM-ZINC03733497

 MMsINC code: MMs03062303
Type: Neutral
Formula: C12H15F2N
SMILES:   Fc1cc(F)ccc1C1NCCC1CC
InChI:   InChI=1/C12H15F2N/c1-2-8-5-6-15-12(8)10-4-3-9(13)7-11(10)14/h3-4,7-8,12,15H,2,5-6H2,1H3/t8-,12-/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)=26.0809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.255 g/mol  logS: -2.98471  SlogP: 3.1209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144904  Sterimol/B1: 2.40987  Sterimol/B2: 2.42503  Sterimol/B3: 4.07743
  Sterimol/B4: 6.55127  Sterimol/L: 11.5855 
 
 Surface and Volume Properties
  Accessible surface: 404.285  Positive charged surface: 262.227  Negative charged surface: 142.058  Volume: 204.375
  Hydrophobic surface: 355.359  Hydrophilic surface: 48.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03062304
PUBCHEM-ZINC03733497