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


NCID-ZINC01688757

 MMsINC code: MMs02321358
Type: Neutral
Formula: C9H14N5+
SMILES:   [N+](C)(C)(C)c1ncnc2n(ncc12)C
InChI:   InChI=1/C9H14N5/c1-13-8-7(5-12-13)9(11-6-10-8)14(2,3)4/h5-6H,1-4H3/q+1

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)=43.379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.246 g/mol  logS: -1.33726  SlogP: 0.9192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113607  Sterimol/B1: 3.57394  Sterimol/B2: 3.57464  Sterimol/B3: 3.69208
  Sterimol/B4: 5.26366  Sterimol/L: 11.5914 
 
 Surface and Volume Properties
  Accessible surface: 384.497  Positive charged surface: 348.138  Negative charged surface: 33.2774  Volume: 191.375
  Hydrophobic surface: 267.911  Hydrophilic surface: 116.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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:  
   

Ions/Tautomers related molecules: no related molecules available.