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


NCID-ZINC04802678

 MMsINC code: MMs02407644
Type: Neutral
Formula: C17H36N2+2
SMILES:   [NH+](CCCC([NH+]1CC2C(CCCC2)C1)C)(CC)CC
InChI:   InChI=1/C17H34N2/c1-4-18(5-2)12-8-9-15(3)19-13-16-10-6-7-11-17(16)14-19/h15-17H,4-14H2,1-3H3/p+2/t15-,16+,17+/m0/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)=48.1059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.489 g/mol  logS: -2.60703  SlogP: 0.7847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0841292  Sterimol/B1: 2.55404  Sterimol/B2: 3.60877  Sterimol/B3: 4.91641
  Sterimol/B4: 5.78158  Sterimol/L: 16.5031 
 
 Surface and Volume Properties
  Accessible surface: 575.014  Positive charged surface: 492.829  Negative charged surface: 82.1842  Volume: 320.5
  Hydrophobic surface: 480.082  Hydrophilic surface: 94.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 3
 
 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


MMs02407645
NCID-ZINC04802678