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


NCID-ZINC00404265

 MMsINC code: MMs02216681
Type: Neutral
Formula: C15H15N7O2
SMILES:   OC(=O)c1ccc(N(Cc2nc3c(nc(nc3N)N)nc2)C)cc1
InChI:   InChI=1/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)

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)=87.2612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.332 g/mol  logS: -2.99639  SlogP: 1.1852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843141  Sterimol/B1: 2.35748  Sterimol/B2: 3.23538  Sterimol/B3: 4.19564
  Sterimol/B4: 7.60925  Sterimol/L: 16.004 
 
 Surface and Volume Properties
  Accessible surface: 548.598  Positive charged surface: 384.664  Negative charged surface: 163.934  Volume: 290.25
  Hydrophobic surface: 222.804  Hydrophilic surface: 325.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02216682
NCID-ZINC00404265