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


PUBCHEM-ZINC06869551

 MMsINC code: MMs03883623
Type: Ionized
Formula: C15H25N4+
SMILES:   [NH+](CCn1c2cc(C)c(cc2nc1N)C)(CC)CC
InChI:   InChI=1/C15H24N4/c1-5-18(6-2)7-8-19-14-10-12(4)11(3)9-13(14)17-15(19)16/h9-10H,5-8H2,1-4H3,(H2,16,17)/p+1

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)=28.7522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.393 g/mol  logS: -3.49697  SlogP: 1.42644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0677868  Sterimol/B1: 2.25476  Sterimol/B2: 2.72567  Sterimol/B3: 4.46342
  Sterimol/B4: 8.60228  Sterimol/L: 15.0817 
 
 Surface and Volume Properties
  Accessible surface: 536.366  Positive charged surface: 385.933  Negative charged surface: 150.433  Volume: 289.125
  Hydrophobic surface: 388.233  Hydrophilic surface: 148.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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:  
   
Parent related molecule:


MMs03883622
PUBCHEM-ZINC06869551