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


IBS-ZINC05158225

 MMsINC code: MMs01925721
Type: Neutral
Formula: C15H25N7O2
SMILES:   O=[N+]([O-])c1c(nc(nc1N)NC1CCCCC1)N1CCN(CC1)C
InChI:   InChI=1/C15H25N7O2/c1-20-7-9-21(10-8-20)14-12(22(23)24)13(16)18-15(19-14)17-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H3,16,17,18,19)

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)=79.2185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.412 g/mol  logS: -3.26485  SlogP: 1.4634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0701709  Sterimol/B1: 2.16974  Sterimol/B2: 3.48361  Sterimol/B3: 3.81266
  Sterimol/B4: 7.59332  Sterimol/L: 16.978 
 
 Surface and Volume Properties
  Accessible surface: 591.224  Positive charged surface: 472.623  Negative charged surface: 118.6  Volume: 316.75
  Hydrophobic surface: 410.777  Hydrophilic surface: 180.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01925722
IBS-ZINC05158225