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


PUBCHEM-ZINC05912601

MMsINC code: MMs03441734

Type: Neutral
Formula: C14H23N3O4
SMILES:   OC(=O)C(NC(=O)C1CCN(CC1)C(=O)C1NCCC1)C
InChI:   InChI=1/C14H23N3O4/c1-9(14(20)21)16-12(18)10-4-7-17(8-5-10)13(19)11-3-2-6-15-11/h9-11,15H,2-8H2,1H3,(H,16,18)(H,20,21)/t9-,11-/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)=48.1963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -0.78092  SlogP: -0.4337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058094  Sterimol/B1: 3.27815  Sterimol/B2: 3.93264  Sterimol/B3: 4.10035
  Sterimol/B4: 5.11269  Sterimol/L: 16.2266 
 
 Surface and Volume Properties
  Accessible surface: 539.631  Positive charged surface: 398.67  Negative charged surface: 140.961  Volume: 282.75
  Hydrophobic surface: 341.16  Hydrophilic surface: 198.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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: no related molecules available.