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


CHEMBLOCK-ZINC02192294

 MMsINC code: MMs00530332
Type: Neutral
Formula: C16H26N2O2
SMILES:   Oc1ccc(cc1)CC(NC(=O)CN(CC)CC)(C)C
InChI:   InChI=1/C16H26N2O2/c1-5-18(6-2)12-15(20)17-16(3,4)11-13-7-9-14(19)10-8-13/h7-10,19H,5-6,11-12H2,1-4H3,(H,17,20)

Download   format file 
Drug Similarity  |  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)=86.2776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.396 g/mol  logS: -2.43726  SlogP: 2.17127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603985  Sterimol/B1: 2.07666  Sterimol/B2: 3.13003  Sterimol/B3: 3.93631
  Sterimol/B4: 6.66763  Sterimol/L: 16.8305 
 
 Surface and Volume Properties
  Accessible surface: 547.715  Positive charged surface: 388.968  Negative charged surface: 158.747  Volume: 297.625
  Hydrophobic surface: 398.428  Hydrophilic surface: 149.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00530333
CHEMBLOCK-ZINC02192294