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


PUBCHEM-ZINC05613997

 MMsINC code: MMs03324774
Type: Neutral
Formula: C12H19FNP
SMILES:   P(Nc1ccc(F)cc1)(C(C)C)C(C)C
InChI:   InChI=1/C12H19FNP/c1-9(2)15(10(3)4)14-12-7-5-11(13)6-8-12/h5-10,14H,1-4H3

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)=46.8548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.263 g/mol  logS: -2.37671  SlogP: 4.4513  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.215657  Sterimol/B1: 3.18525  Sterimol/B2: 3.52291  Sterimol/B3: 4.52751
  Sterimol/B4: 6.34069  Sterimol/L: 12.6537 
 
 Surface and Volume Properties
  Accessible surface: 450.306  Positive charged surface: 276.401  Negative charged surface: 173.905  Volume: 234.625
  Hydrophobic surface: 366.53  Hydrophilic surface: 83.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.