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


PUBCHEM-ZINC06349542

 MMsINC code: MMs03679574
Type: Neutral
Formula: C11H18N6O2
SMILES:   O=[N+]([O-])c1c(nc(nc1N)N1CCC(CC1)C)NC
InChI:   InChI=1/C11H18N6O2/c1-7-3-5-16(6-4-7)11-14-9(12)8(17(18)19)10(13-2)15-11/h7H,3-6H2,1-2H3,(H3,12,13,14,15)

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)=54.3169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.305 g/mol  logS: -3.01635  SlogP: 1.245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466372  Sterimol/B1: 3.10374  Sterimol/B2: 3.17203  Sterimol/B3: 4.96292
  Sterimol/B4: 5.3738  Sterimol/L: 14.2676 
 
 Surface and Volume Properties
  Accessible surface: 487.154  Positive charged surface: 360.619  Negative charged surface: 126.535  Volume: 246.375
  Hydrophobic surface: 274.491  Hydrophilic surface: 212.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.