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


ENAMINE-ZINC05674450

 MMsINC code: MMs01631715
Type: Neutral
Formula: C16H26N4O4
SMILES:   O=C1NC(=O)N(CCC)C(N)=C1N(C(=O)C1CCCC1)CCOC
InChI:   InChI=1/C16H26N4O4/c1-3-8-20-13(17)12(14(21)18-16(20)23)19(9-10-24-2)15(22)11-6-4-5-7-11/h11H,3-10,17H2,1-2H3,(H,18,21,23)

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)=56.4207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.408 g/mol  logS: -2.49623  SlogP: 0.7412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173004  Sterimol/B1: 3.26245  Sterimol/B2: 4.97364  Sterimol/B3: 5.28764
  Sterimol/B4: 6.27411  Sterimol/L: 14.9635 
 
 Surface and Volume Properties
  Accessible surface: 575.455  Positive charged surface: 447.109  Negative charged surface: 128.346  Volume: 323.375
  Hydrophobic surface: 414.152  Hydrophilic surface: 161.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.