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


NCID-ZINC01584792

MMsINC code: MMs02241352

Type: Neutral
Formula: C18H18N2
SMILES:   [nH]1c2c(cccc2)c(C)c1C1Nc2c(cccc2)C1C
InChI:   InChI=1/C18H18N2/c1-11-13-7-3-5-9-15(13)19-17(11)18-12(2)14-8-4-6-10-16(14)20-18/h3-11,17,19-20H,1-2H3/t11-,17-/m0/s1

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)=64.1662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.356 g/mol  logS: -3.93817  SlogP: 4.84212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0877913  Sterimol/B1: 2.14789  Sterimol/B2: 3.17013  Sterimol/B3: 4.03336
  Sterimol/B4: 7.22767  Sterimol/L: 14.5435 
 
 Surface and Volume Properties
  Accessible surface: 501.092  Positive charged surface: 297.568  Negative charged surface: 198.122  Volume: 274.125
  Hydrophobic surface: 442.613  Hydrophilic surface: 58.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.