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


PUBCHEM-ZINC05817454

 MMsINC code: MMs03396668
Type: Neutral
Formula: C11H21N3O3
SMILES:   OC(=O)C(NC(=O)N1CCN(CC1)C)C(C)C
InChI:   InChI=1/C11H21N3O3/c1-8(2)9(10(15)16)12-11(17)14-6-4-13(3)5-7-14/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/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)=38.4048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.307 g/mol  logS: -0.27166  SlogP: 0.0526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118773  Sterimol/B1: 2.5239  Sterimol/B2: 2.81414  Sterimol/B3: 4.84393
  Sterimol/B4: 5.02012  Sterimol/L: 13.7499 
 
 Surface and Volume Properties
  Accessible surface: 468.463  Positive charged surface: 373.278  Negative charged surface: 95.1847  Volume: 239.125
  Hydrophobic surface: 320.743  Hydrophilic surface: 147.72
 
 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: no related molecules available.