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


PUBCHEM-ZINC06051284

 MMsINC code: MMs03515810
Type: Neutral
Formula: C19H34N2O2
SMILES:   O=C1N(CC(C1)C(=O)NCC(CCCC)CC)C1CCCCC1
InChI:   InChI=1/C19H34N2O2/c1-3-5-9-15(4-2)13-20-19(23)16-12-18(22)21(14-16)17-10-7-6-8-11-17/h15-17H,3-14H2,1-2H3,(H,20,23)/t15-,16+/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)=25.1773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.493 g/mol  logS: -3.8797  SlogP: 3.5002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383154  Sterimol/B1: 3.05123  Sterimol/B2: 3.43374  Sterimol/B3: 3.98053
  Sterimol/B4: 4.66697  Sterimol/L: 21.2909 
 
 Surface and Volume Properties
  Accessible surface: 637.134  Positive charged surface: 485.932  Negative charged surface: 151.202  Volume: 350.625
  Hydrophobic surface: 528.019  Hydrophilic surface: 109.115
 
 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.