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


PUBCHEM-ZINC05856243

 MMsINC code: MMs03419803
Type: Neutral
Formula: C11H22N6O4
SMILES:   O=C(NN)C(NC(=O)C)CCCC(NC(=O)C)C(=O)NN
InChI:   InChI=1/C11H22N6O4/c1-6(18)14-8(10(20)16-12)4-3-5-9(11(21)17-13)15-7(2)19/h8-9H,3-5,12-13H2,1-2H3,(H,14,18)(H,15,19)(H,16,20)(H,17,21)/t8-,9+

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)=130.287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.335 g/mol  logS: -1.07269  SlogP: -2.8541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0794128  Sterimol/B1: 1.969  Sterimol/B2: 2.91778  Sterimol/B3: 3.44177
  Sterimol/B4: 8.25307  Sterimol/L: 14.4524 
 
 Surface and Volume Properties
  Accessible surface: 547.946  Positive charged surface: 377.339  Negative charged surface: 170.607  Volume: 280.5
  Hydrophobic surface: 229.296  Hydrophilic surface: 318.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.