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


BACHEM-ZINC04899807

 MMsINC code: MMs00485360
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C1N(CCC1)C(=O)C(N)C(C)C)C(C)(C)C
InChI:   InChI=1/C14H26N2O3/c1-9(2)11(15)12(17)16-8-6-7-10(16)13(18)19-14(3,4)5/h9-11H,6-8,15H2,1-5H3/t10-,11-/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)=85.5934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.02141  SlogP: 1.3024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125006  Sterimol/B1: 2.59321  Sterimol/B2: 3.30292  Sterimol/B3: 4.75021
  Sterimol/B4: 6.49677  Sterimol/L: 13.6518 
 
 Surface and Volume Properties
  Accessible surface: 513.53  Positive charged surface: 372.972  Negative charged surface: 140.557  Volume: 281.125
  Hydrophobic surface: 352.114  Hydrophilic surface: 161.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00485361
BACHEM-ZINC04899807