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


PUBCHEM-ZINC05977076

 MMsINC code: MMs03472501
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NC1CCCCCC1
InChI:   InChI=1/C15H26N2O2/c1-11(2)17-13(9-10-14(17)18)15(19)16-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3,(H,16,19)/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)=55.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.703  SlogP: 2.2248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884306  Sterimol/B1: 2.06223  Sterimol/B2: 2.57479  Sterimol/B3: 4.74653
  Sterimol/B4: 6.47187  Sterimol/L: 14.0774 
 
 Surface and Volume Properties
  Accessible surface: 511.577  Positive charged surface: 383.147  Negative charged surface: 128.43  Volume: 279.875
  Hydrophobic surface: 424.631  Hydrophilic surface: 86.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.