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


ENAMINE-ZINC03371736

 MMsINC code: MMs01402257
Type: Neutral
Formula: C14H22N4O5
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NC(=O)NCC(C)C)C1=O
InChI:   InChI=1/C14H22N4O5/c1-4-5-6-17-11(20)12(21)18(14(17)23)8-10(19)16-13(22)15-7-9(2)3/h9H,4-8H2,1-3H3,(H2,15,16,19,22)

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)=-12.7895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.353 g/mol  logS: -2.49186  SlogP: 0.0591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358185  Sterimol/B1: 2.48336  Sterimol/B2: 3.13689  Sterimol/B3: 3.74004
  Sterimol/B4: 6.43856  Sterimol/L: 20.5495 
 
 Surface and Volume Properties
  Accessible surface: 607.602  Positive charged surface: 405.987  Negative charged surface: 201.615  Volume: 302.25
  Hydrophobic surface: 330.524  Hydrophilic surface: 277.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.