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


NCID-ZINC01664093

 MMsINC code: MMs02300407
Type: Neutral
Formula: C18H34N+
SMILES:   [NH+](CC1(C)C(CCCCC)C(=CC(C)=C1C)C)(C)C
InChI:   InChI=1/C18H33N/c1-8-9-10-11-17-15(3)12-14(2)16(4)18(17,5)13-19(6)7/h12,17H,8-11,13H2,1-7H3/p+1/t17-,18+/m0/s1

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)=56.5734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.477 g/mol  logS: -4.03199  SlogP: 3.63  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.255722  Sterimol/B1: 3.3441  Sterimol/B2: 5.32191  Sterimol/B3: 5.88242
  Sterimol/B4: 6.45412  Sterimol/L: 13.6336 
 
 Surface and Volume Properties
  Accessible surface: 559.859  Positive charged surface: 455.993  Negative charged surface: 103.866  Volume: 324.75
  Hydrophobic surface: 482.245  Hydrophilic surface: 77.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs02300408
NCID-ZINC01664093