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


PUBCHEM-ZINC00280105

 MMsINC code: MMs02649907
Type: Neutral
Formula: C14H30N2
SMILES:   N(CC(CN(C)C)(C)C)C1CC(CCC1)C
InChI:   InChI=1/C14H30N2/c1-12-7-6-8-13(9-12)15-10-14(2,3)11-16(4)5/h12-13,15H,6-11H2,1-5H3/t12-,13+/m1/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)=46.9745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.408 g/mol  logS: -1.84704  SlogP: 2.7425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149873  Sterimol/B1: 2.66596  Sterimol/B2: 3.06452  Sterimol/B3: 5.39268
  Sterimol/B4: 5.50348  Sterimol/L: 13.9519 
 
 Surface and Volume Properties
  Accessible surface: 500.733  Positive charged surface: 426.407  Negative charged surface: 74.3258  Volume: 271.125
  Hydrophobic surface: 445.71  Hydrophilic surface: 55.023
 
 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


MMs02649908
PUBCHEM-ZINC00280105