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


ASINEX-ZINC00219344

 MMsINC code: MMs00093799
Type: Neutral
Formula: C10H15N5O
SMILES:   O(C)c1ccc(cc1)CNC(NC(N)=N)=N
InChI:   InChI=1/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15)

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)=-5.43328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.264 g/mol  logS: -2.15865  SlogP: 0.46904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622846  Sterimol/B1: 3.06635  Sterimol/B2: 3.27672  Sterimol/B3: 3.90512
  Sterimol/B4: 4.36191  Sterimol/L: 15.7136 
 
 Surface and Volume Properties
  Accessible surface: 461.618  Positive charged surface: 336.12  Negative charged surface: 125.498  Volume: 212.625
  Hydrophobic surface: 246.726  Hydrophilic surface: 214.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00093800
ASINEX-ZINC00219344