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


PUBCHEM-ZINC06256060

 MMsINC code: MMs03641512
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCCC1)CC(C)C
InChI:   InChI=1/C13H24N2O3/c1-10(2)9-11(12(16)17)14-13(18)15-7-5-3-4-6-8-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t11-/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)=20.8647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.00952  SlogP: 2.0713  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162583  Sterimol/B1: 1.969  Sterimol/B2: 3.54325  Sterimol/B3: 5.24813
  Sterimol/B4: 6.44332  Sterimol/L: 11.9745 
 
 Surface and Volume Properties
  Accessible surface: 486.399  Positive charged surface: 351.595  Negative charged surface: 134.804  Volume: 263
  Hydrophobic surface: 337.728  Hydrophilic surface: 148.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03641513
PUBCHEM-ZINC06256060