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


BACHEM-ZINC02556497

 MMsINC code: MMs00483683
Type: Neutral
Formula: C11H19N3O6
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)NCC(=O)NCC(O)=O
InChI:   InChI=1/C11H19N3O6/c1-11(2,3)20-10(19)14-5-8(16)12-4-7(15)13-6-9(17)18/h4-6H2,1-3H3,(H,12,16)(H,13,15)(H,14,19)(H,17,18)

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)=40.5078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.288 g/mol  logS: -1.16254  SlogP: -1.1719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230682  Sterimol/B1: 2.3748  Sterimol/B2: 2.49096  Sterimol/B3: 4.12035
  Sterimol/B4: 4.87443  Sterimol/L: 20.1858 
 
 Surface and Volume Properties
  Accessible surface: 554.144  Positive charged surface: 378.186  Negative charged surface: 175.958  Volume: 261.125
  Hydrophobic surface: 236.844  Hydrophilic surface: 317.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs00483684
BACHEM-ZINC02556497