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


IBS-ZINC02426336

 MMsINC code: MMs01860243
Type: Neutral
Formula: C11H23N3O3
SMILES:   OC(=O)C(NC(=O)NCCCN(CC)CC)C
InChI:   InChI=1/C11H23N3O3/c1-4-14(5-2)8-6-7-12-11(17)13-9(3)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)(H2,12,13,17)/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)=-3.53018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.323 g/mol  logS: -0.68146  SlogP: 0.4906  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0536704  Sterimol/B1: 2.51055  Sterimol/B2: 3.394  Sterimol/B3: 4.05292
  Sterimol/B4: 6.22012  Sterimol/L: 16.4465 
 
 Surface and Volume Properties
  Accessible surface: 532.357  Positive charged surface: 395.106  Negative charged surface: 137.251  Volume: 251.5
  Hydrophobic surface: 310.803  Hydrophilic surface: 221.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.