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


PUBCHEM-ZINC03874429

 MMsINC code: MMs03082354
Type: Neutral
Formula: C11H21N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC(C(=O)N)C)C
InChI:   InChI=1/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)/t6-,7-/m1/s1

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)=38.3283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.306 g/mol  logS: -1.92711  SlogP: -0.1104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499952  Sterimol/B1: 2.1369  Sterimol/B2: 2.84013  Sterimol/B3: 3.95973
  Sterimol/B4: 5.78737  Sterimol/L: 16.4108 
 
 Surface and Volume Properties
  Accessible surface: 513.527  Positive charged surface: 347.076  Negative charged surface: 166.452  Volume: 251
  Hydrophobic surface: 248.931  Hydrophilic surface: 264.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.