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


NCID-ZINC01729793

 MMsINC code: MMs02352929
Type: Neutral
Formula: C11H20N2O3
SMILES:   O=C1N(CC(O)=O)C(NC1CC(C)C)(C)C
InChI:   InChI=1/C11H20N2O3/c1-7(2)5-8-10(16)13(6-9(14)15)11(3,4)12-8/h7-8,12H,5-6H2,1-4H3,(H,14,15)/t8-/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)=37.2966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.83854  SlogP: 0.6536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207232  Sterimol/B1: 2.66825  Sterimol/B2: 4.03761  Sterimol/B3: 4.75072
  Sterimol/B4: 5.25088  Sterimol/L: 11.0937 
 
 Surface and Volume Properties
  Accessible surface: 433.877  Positive charged surface: 295.666  Negative charged surface: 138.211  Volume: 227
  Hydrophobic surface: 224.485  Hydrophilic surface: 209.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02352930
NCID-ZINC01729793