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


PUBCHEM-ZINC05117667

 MMsINC code: MMs03205232
Type: Neutral
Formula: C10H15N5
SMILES:   [nH]1c(cnc1CCc1[nH]ccn1)CCN
InChI:   InChI=1/C10H15N5/c11-4-3-8-7-14-10(15-8)2-1-9-12-5-6-13-9/h5-7H,1-4,11H2,(H,12,13)(H,14,15)

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)=13.4771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.265 g/mol  logS: -0.00067  SlogP: 0.41911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497634  Sterimol/B1: 2.61862  Sterimol/B2: 2.77885  Sterimol/B3: 3.44463
  Sterimol/B4: 3.86689  Sterimol/L: 15.9518 
 
 Surface and Volume Properties
  Accessible surface: 457.752  Positive charged surface: 383.702  Negative charged surface: 74.0503  Volume: 208.25
  Hydrophobic surface: 287.626  Hydrophilic surface: 170.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03205233
PUBCHEM-ZINC05117667