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


PUBCHEM-ZINC06374842

 MMsINC code: MMs03691506
Type: Neutral
Formula: C10H13N3
SMILES:   [nH]1cc(c2cccnc12)CN(C)C
InChI:   InChI=1/C10H13N3/c1-13(2)7-8-6-12-10-9(8)4-3-5-11-10/h3-6H,7H2,1-2H3,(H,11,12)

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)=46.812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.235 g/mol  logS: -1.99771  SlogP: 1.8909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773213  Sterimol/B1: 2.9988  Sterimol/B2: 3.17177  Sterimol/B3: 3.94538
  Sterimol/B4: 4.85148  Sterimol/L: 11.6447 
 
 Surface and Volume Properties
  Accessible surface: 376.461  Positive charged surface: 299.004  Negative charged surface: 74.1307  Volume: 182.5
  Hydrophobic surface: 300.74  Hydrophilic surface: 75.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03691507
PUBCHEM-ZINC06374842