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


AURORAFEINCHEMIE-ZINC05350788

 MMsINC code: MMs00474750
Type: Neutral
Formula: C13H24N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCCC1C)C(C)C)C
InChI:   InChI=1/C13H24N2O3/c1-9(2)11(12(16)18-4)14-13(17)15-8-6-5-7-10(15)3/h9-11H,5-8H2,1-4H3,(H,14,17)/t10-,11+/m1/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)=56.3578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -1.71862  SlogP: 1.768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123065  Sterimol/B1: 2.3284  Sterimol/B2: 2.49534  Sterimol/B3: 5.08665
  Sterimol/B4: 5.6518  Sterimol/L: 14.1693 
 
 Surface and Volume Properties
  Accessible surface: 487.807  Positive charged surface: 387.429  Negative charged surface: 100.379  Volume: 260.5
  Hydrophobic surface: 390.21  Hydrophilic surface: 97.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.