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


PUBCHEM-ZINC05735181

 MMsINC code: MMs03365219
Type: Neutral
Formula: C15H30N2O2+2
SMILES:   O(C(=O)C1[N+]2(CCC(C1)CC2)C)CC([N+](C)(C)C)C
InChI:   InChI=1/C15H30N2O2/c1-12(16(2,3)4)11-19-15(18)14-10-13-6-8-17(14,5)9-7-13/h12-14H,6-11H2,1-5H3/q+2/t12-,13-,14-,17+/m0/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)=152.181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.417 g/mol  logS: -0.84026  SlogP: 1.2532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13151  Sterimol/B1: 2.19589  Sterimol/B2: 3.26129  Sterimol/B3: 4.27409
  Sterimol/B4: 6.25722  Sterimol/L: 13.8519 
 
 Surface and Volume Properties
  Accessible surface: 498.313  Positive charged surface: 448.885  Negative charged surface: 49.4287  Volume: 287.25
  Hydrophobic surface: 394.64  Hydrophilic surface: 103.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  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: no related molecules available.