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


CHEMBRIDGE-ZINC04809913

 MMsINC code: MMs00788482
Type: Neutral
Formula: C19H26N2O2
SMILES:   O=C1Nc2cc(ccc2C=C1CN(C(=O)CCC)CC(C)C)C
InChI:   InChI=1/C19H26N2O2/c1-5-6-18(22)21(11-13(2)3)12-16-10-15-8-7-14(4)9-17(15)20-19(16)23/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,23)

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)=51.0064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.429 g/mol  logS: -4.22038  SlogP: 3.61522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973832  Sterimol/B1: 2.48284  Sterimol/B2: 2.51276  Sterimol/B3: 5.18257
  Sterimol/B4: 8.28626  Sterimol/L: 16.0139 
 
 Surface and Volume Properties
  Accessible surface: 593.871  Positive charged surface: 403.48  Negative charged surface: 190.392  Volume: 329.375
  Hydrophobic surface: 457.339  Hydrophilic surface: 136.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.