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


NCID-ZINC04353424

 MMsINC code: MMs02383795
Type: Neutral
Formula: C9H14N6
SMILES:   [nH]1ncc2c1nc(nc2N(C)C)N(C)C
InChI:   InChI=1/C9H14N6/c1-14(2)8-6-5-10-13-7(6)11-9(12-8)15(3)4/h5H,1-4H3,(H,10,11,12,13)

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)=68.7452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.253 g/mol  logS: -2.10278  SlogP: 0.4849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0540112  Sterimol/B1: 2.16832  Sterimol/B2: 2.27763  Sterimol/B3: 3.53064
  Sterimol/B4: 7.93073  Sterimol/L: 11.3841 
 
 Surface and Volume Properties
  Accessible surface: 409.486  Positive charged surface: 368.852  Negative charged surface: 36.6199  Volume: 202.25
  Hydrophobic surface: 320.066  Hydrophilic surface: 89.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.