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


CHEMDIV-ZINC02497016

 MMsINC code: MMs00881731
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(CCNC(=O)C(NC(=O)C1CCCCC1)C(C)C)C
InChI:   InChI=1/C15H28N2O3/c1-11(2)13(15(19)16-9-10-20-3)17-14(18)12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,19)(H,17,18)/t13-/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)=44.8904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.66359  SlogP: 1.4701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0808344  Sterimol/B1: 2.52212  Sterimol/B2: 3.42228  Sterimol/B3: 4.2696
  Sterimol/B4: 6.48021  Sterimol/L: 17.6593 
 
 Surface and Volume Properties
  Accessible surface: 558.968  Positive charged surface: 450.276  Negative charged surface: 108.692  Volume: 297.25
  Hydrophobic surface: 456.386  Hydrophilic surface: 102.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.