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


CHEMSTAR-ZINC04544893

 MMsINC code: MMs01116388
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C(NCCC=1CCCCC=1)C(=O)NCC(C)C
InChI:   InChI=1/C14H24N2O2/c1-11(2)10-16-14(18)13(17)15-9-8-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3,(H,15,17)(H,16,18)

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)=33.448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -2.63378  SlogP: 1.7653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398869  Sterimol/B1: 2.93865  Sterimol/B2: 3.47189  Sterimol/B3: 3.60084
  Sterimol/B4: 4.14633  Sterimol/L: 18.397 
 
 Surface and Volume Properties
  Accessible surface: 546.608  Positive charged surface: 402.552  Negative charged surface: 144.056  Volume: 269.375
  Hydrophobic surface: 393.629  Hydrophilic surface: 152.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.