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


PUBCHEM-ZINC05807997

 MMsINC code: MMs03394082
Type: Neutral
Formula: C15H25N3
SMILES:   n1ccccc1CN1CCN(CC1)C(CC)CC
InChI:   InChI=1/C15H25N3/c1-3-15(4-2)18-11-9-17(10-12-18)13-14-7-5-6-8-16-14/h5-8,15H,3-4,9-13H2,1-2H3

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)=80.4616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.386 g/mol  logS: -1.2558  SlogP: 2.6542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167489  Sterimol/B1: 2.18533  Sterimol/B2: 3.6608  Sterimol/B3: 4.69011
  Sterimol/B4: 6.70823  Sterimol/L: 13.7586 
 
 Surface and Volume Properties
  Accessible surface: 510.686  Positive charged surface: 395.526  Negative charged surface: 115.161  Volume: 276
  Hydrophobic surface: 449.633  Hydrophilic surface: 61.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs03394083
PUBCHEM-ZINC05807997