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


ACROSORGANICS-ZINC01680055

 MMsINC code: MMs00010707
Type: Neutral
Formula: C13H19FN+
SMILES:   Fc1ccc(cc1)C1([NH2+]C)CCCCC1
InChI:   InChI=1/C13H18FN/c1-15-13(9-3-2-4-10-13)11-5-7-12(14)8-6-11/h5-8,15H,2-4,9-10H2,1H3/p+1

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)=34.6275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.3 g/mol  logS: -2.86711  SlogP: 2.4898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284358  Sterimol/B1: 2.13131  Sterimol/B2: 2.4878  Sterimol/B3: 5.23985
  Sterimol/B4: 6.06612  Sterimol/L: 12.5215 
 
 Surface and Volume Properties
  Accessible surface: 417.714  Positive charged surface: 303.104  Negative charged surface: 114.611  Volume: 222.75
  Hydrophobic surface: 379.022  Hydrophilic surface: 38.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs00010708
ACROSORGANICS-ZINC01680055