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


IBS-ZINC00543496

 MMsINC code: MMs01751656
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCC(CC1)C)C
InChI:   InChI=1/C11H20N2O3/c1-7-3-5-9(6-4-7)13-11(16)12-8(2)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7-,8-,9+/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)=-1.83319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.91374  SlogP: 1.3374  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.13942  Sterimol/B1: 2.07979  Sterimol/B2: 3.506  Sterimol/B3: 4.04278
  Sterimol/B4: 5.72713  Sterimol/L: 13.9285 
 
 Surface and Volume Properties
  Accessible surface: 459.292  Positive charged surface: 327.262  Negative charged surface: 132.03  Volume: 227.5
  Hydrophobic surface: 279.359  Hydrophilic surface: 179.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs01751657
IBS-ZINC00543496