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


ASINEX-ZINC00378621

 MMsINC code: MMs00126678
Type: Neutral
Formula: C15H13N5
SMILES:   [nH]1c2c(nc1-c1cc3nc([nH]c3cc1)C)cc(N)cc2
InChI:   InChI=1/C15H13N5/c1-8-17-11-4-2-9(6-13(11)18-8)15-19-12-5-3-10(16)7-14(12)20-15/h2-7H,16H2,1H3,(H,17,18)(H,19,20)

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)=44.7212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.304 g/mol  logS: -4.62311  SlogP: 2.99682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00252733  Sterimol/B1: 2.09903  Sterimol/B2: 2.5121  Sterimol/B3: 2.52799
  Sterimol/B4: 5.77727  Sterimol/L: 17.0739 
 
 Surface and Volume Properties
  Accessible surface: 502.248  Positive charged surface: 311.264  Negative charged surface: 190.984  Volume: 249.25
  Hydrophobic surface: 358.102  Hydrophilic surface: 144.146
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00126679
ASINEX-ZINC00378621