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


IBS-ZINC02344012

 MMsINC code: MMs01838190
Type: Neutral
Formula: C15H23N3O5
SMILES:   O=C1N(CCN(C(=O)N2CCCCC2C(OCC)=O)C1=O)CC
InChI:   InChI=1/C15H23N3O5/c1-3-16-9-10-18(13(20)12(16)19)15(22)17-8-6-5-7-11(17)14(21)23-4-2/h11H,3-10H2,1-2H3/t11-/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)=111.933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.365 g/mol  logS: -1.81182  SlogP: 0.2147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088638  Sterimol/B1: 3.76585  Sterimol/B2: 3.81397  Sterimol/B3: 5.57297
  Sterimol/B4: 5.91985  Sterimol/L: 15.3786 
 
 Surface and Volume Properties
  Accessible surface: 563.999  Positive charged surface: 426.502  Negative charged surface: 137.497  Volume: 299.125
  Hydrophobic surface: 427.756  Hydrophilic surface: 136.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.