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


PUBCHEM-ZINC05833838

 MMsINC code: MMs03406910
Type: Neutral
Formula: C14H20FN
SMILES:   Fc1cc(ccc1)C1CCCN(C1)CCC
InChI:   InChI=1/C14H20FN/c1-2-8-16-9-4-6-13(11-16)12-5-3-7-14(15)10-12/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3/t13-/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)=33.2398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.319 g/mol  logS: -2.5687  SlogP: 3.4151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110495  Sterimol/B1: 2.45424  Sterimol/B2: 3.82425  Sterimol/B3: 4.04329
  Sterimol/B4: 6.1879  Sterimol/L: 14.7012 
 
 Surface and Volume Properties
  Accessible surface: 461.676  Positive charged surface: 320.345  Negative charged surface: 141.331  Volume: 236.875
  Hydrophobic surface: 437.188  Hydrophilic surface: 24.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs03406911
PUBCHEM-ZINC05833838