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


PUBCHEM-ZINC00220442

 MMsINC code: MMs02641645
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC(CC)C)C1CCCCC1
InChI:   InChI=1/C15H26N2O2/c1-3-11(2)16-15(19)12-9-14(18)17(10-12)13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19)/t11-,12+/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)=11.7687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -1.94426  SlogP: 2.0823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119101  Sterimol/B1: 2.47034  Sterimol/B2: 2.5315  Sterimol/B3: 5.45096
  Sterimol/B4: 6.10996  Sterimol/L: 14.468 
 
 Surface and Volume Properties
  Accessible surface: 522.793  Positive charged surface: 395.46  Negative charged surface: 127.332  Volume: 282.375
  Hydrophobic surface: 428.602  Hydrophilic surface: 94.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.