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


NCID-ZINC01766023

 MMsINC code: MMs02369730
Type: Neutral
Formula: C10H16FN
SMILES:   FC12CC3(N)CC(C1)CC(C3)C2
InChI:   InChI=1/C10H16FN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9+,10-

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)=25.7219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.243 g/mol  logS: -1.72884  SlogP: 2.4259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.657282  Sterimol/B1: 2.44321  Sterimol/B2: 3.44504  Sterimol/B3: 4.31748
  Sterimol/B4: 5.5134  Sterimol/L: 8.75233 
 
 Surface and Volume Properties
  Accessible surface: 334.019  Positive charged surface: 248.337  Negative charged surface: 85.6822  Volume: 166.75
  Hydrophobic surface: 249.688  Hydrophilic surface: 84.331
 
 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


MMs02369731
NCID-ZINC01766023