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


NCID-ZINC01676243

 MMsINC code: MMs02311477
Type: Tautomer
Formula: C17H34N2
SMILES:   N(CCCC(N1CC2C(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/t15-,16-,17+/m0/s1

Download   format file 
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)=59.5482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.473 g/mol  logS: -2.65581  SlogP: 3.6189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124374  Sterimol/B1: 2.04389  Sterimol/B2: 2.65124  Sterimol/B3: 5.01416
  Sterimol/B4: 7.51606  Sterimol/L: 14.7592 
 
 Surface and Volume Properties
  Accessible surface: 557.42  Positive charged surface: 456.642  Negative charged surface: 100.779  Volume: 306.75
  Hydrophobic surface: 491.928  Hydrophilic surface: 65.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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:  
   
Parent related molecule:


MMs02311476
NCID-ZINC01676243