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


NCID-ZINC01716826

 MMsINC code: MMs02342398
Type: Neutral
Formula: C14H32N2
SMILES:   N(N)(C(CCCCC)C)C(CCCCC)C
InChI:   InChI=1/C14H32N2/c1-5-7-9-11-13(3)16(15)14(4)12-10-8-6-2/h13-14H,5-12,15H2,1-4H3/t13-,14-/m1/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)=59.4974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.424 g/mol  logS: -4.14111  SlogP: 4.0997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828397  Sterimol/B1: 2.37013  Sterimol/B2: 3.05004  Sterimol/B3: 5.00949
  Sterimol/B4: 6.35807  Sterimol/L: 17.0592 
 
 Surface and Volume Properties
  Accessible surface: 537.799  Positive charged surface: 426.151  Negative charged surface: 111.648  Volume: 280.375
  Hydrophobic surface: 426.286  Hydrophilic surface: 111.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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


MMs02342399
NCID-ZINC01716826