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


PUBCHEM-ZINC06379545

 MMsINC code: MMs03692833
Type: Neutral
Formula: C14H32N2
SMILES:   N(C(CCCC)C)CCNC(CCCC)C
InChI:   InChI=1/C14H32N2/c1-5-7-9-13(3)15-11-12-16-14(4)10-8-6-2/h13-16H,5-12H2,1-4H3/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)=7.52818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.424 g/mol  logS: -2.89768  SlogP: 3.323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779998  Sterimol/B1: 2.02594  Sterimol/B2: 2.60831  Sterimol/B3: 4.57376
  Sterimol/B4: 7.72426  Sterimol/L: 15.0495 
 
 Surface and Volume Properties
  Accessible surface: 575.783  Positive charged surface: 462.902  Negative charged surface: 112.881  Volume: 284.625
  Hydrophobic surface: 469.267  Hydrophilic surface: 106.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03692834
PUBCHEM-ZINC06379545