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


PUBCHEM-ZINC06357782

 MMsINC code: MMs03684129
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)NCC(C)C)C(CC)C
InChI:   InChI=1/C11H22N2O3/c1-5-8(4)9(10(14)15)13-11(16)12-6-7(2)3/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t8-,9-/m1/s1

Download   format file 
Drug Similarity  |  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)=10.5487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.57689  SlogP: 1.4409  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0779233  Sterimol/B1: 2.54072  Sterimol/B2: 2.74318  Sterimol/B3: 4.39819
  Sterimol/B4: 4.85801  Sterimol/L: 15.6442 
 
 Surface and Volume Properties
  Accessible surface: 485.502  Positive charged surface: 339.471  Negative charged surface: 146.031  Volume: 237.125
  Hydrophobic surface: 278.704  Hydrophilic surface: 206.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03684130
PUBCHEM-ZINC06357782