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


IBS-ZINC05574514

 MMsINC code: MMs01956568
Type: Neutral
Formula: C19H26N2O
SMILES:   O=C(CN(C)C1CCCCC1)c1c2c([nH]c1C)cc(cc2)C
InChI:   InChI=1/C19H26N2O/c1-13-9-10-16-17(11-13)20-14(2)19(16)18(22)12-21(3)15-7-5-4-6-8-15/h9-11,15,20H,4-8,12H2,1-3H3

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)=84.0608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.43 g/mol  logS: -4.13603  SlogP: 4.23194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0621573  Sterimol/B1: 2.89886  Sterimol/B2: 2.93031  Sterimol/B3: 4.95323
  Sterimol/B4: 7.12285  Sterimol/L: 17.0645 
 
 Surface and Volume Properties
  Accessible surface: 572.314  Positive charged surface: 393.394  Negative charged surface: 173.789  Volume: 317.125
  Hydrophobic surface: 518.786  Hydrophilic surface: 53.528
 
 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


MMs01956569
IBS-ZINC05574514