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


PUBCHEM-ZINC06022356

 MMsINC code: MMs03497606
Type: Neutral
Formula: C10H14N6O2
SMILES:   O=C1N(C)C(=O)N(c2nc([nH]c12)NNC(C)=C)C
InChI:   InChI=1/C10H14N6O2/c1-5(2)13-14-9-11-6-7(12-9)15(3)10(18)16(4)8(6)17/h13H,1H2,2-4H3,(H2,11,12,14)

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)=1.25861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.262 g/mol  logS: -1.27738  SlogP: 0.5016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0106229  Sterimol/B1: 2.09758  Sterimol/B2: 2.51282  Sterimol/B3: 3.65299
  Sterimol/B4: 5.41026  Sterimol/L: 14.9872 
 
 Surface and Volume Properties
  Accessible surface: 471.487  Positive charged surface: 330.677  Negative charged surface: 140.81  Volume: 225.75
  Hydrophobic surface: 267.378  Hydrophilic surface: 204.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.