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


PUBCHEM-ZINC06002301

 MMsINC code: MMs03484449
Type: Neutral
Formula: C22H36N4
SMILES:   N1(CCC(N2CCN(CC2)C)CC1)C1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C22H36N4/c1-23-15-17-26(18-16-23)22-9-13-25(14-10-22)21-7-11-24(12-8-21)19-20-5-3-2-4-6-20/h2-6,21-22H,7-19H2,1H3

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)=86.6587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.558 g/mol  logS: -2.2036  SlogP: 2.6292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673936  Sterimol/B1: 3.57038  Sterimol/B2: 4.13011  Sterimol/B3: 4.21807
  Sterimol/B4: 5.58867  Sterimol/L: 19.3415 
 
 Surface and Volume Properties
  Accessible surface: 657.359  Positive charged surface: 553.357  Negative charged surface: 104.001  Volume: 386.25
  Hydrophobic surface: 645.189  Hydrophilic surface: 12.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03484450
PUBCHEM-ZINC06002301