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


PUBCHEM-ZINC06931876

 MMsINC code: MMs03905837
Type: Neutral
Formula: C13H24N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCCCCC1)C)C
InChI:   InChI=1/C13H24N2O3/c1-10(12(16)18-2)14-13(17)15-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H2,14,15,17)/t10-/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)=64.189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.84129  SlogP: 1.96  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0993208  Sterimol/B1: 2.08004  Sterimol/B2: 3.23621  Sterimol/B3: 4.73401
  Sterimol/B4: 5.70755  Sterimol/L: 15.742 
 
 Surface and Volume Properties
  Accessible surface: 510.465  Positive charged surface: 392.856  Negative charged surface: 117.608  Volume: 261.125
  Hydrophobic surface: 404.589  Hydrophilic surface: 105.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.