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


PUBCHEM-ZINC03870448

 MMsINC code: MMs03079608
Type: Neutral
Formula: C11H21N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC(NC=O)C)C
InChI:   InChI=1/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8+/m0/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)=7.49912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.306 g/mol  logS: -1.59813  SlogP: 0.1078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0594006  Sterimol/B1: 1.969  Sterimol/B2: 3.12052  Sterimol/B3: 3.61897
  Sterimol/B4: 7.00017  Sterimol/L: 15.3869 
 
 Surface and Volume Properties
  Accessible surface: 519.559  Positive charged surface: 366.406  Negative charged surface: 153.153  Volume: 253.125
  Hydrophobic surface: 276.417  Hydrophilic surface: 243.142
 
 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.