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


ASINEX-ZINC02380283

 MMsINC code: MMs00270577
Type: Tautomer
Formula: C18H20N2
SMILES:   [nH]1cc(c2c1cccc2)CCNCc1cc(ccc1)C
InChI:   InChI=1/C18H20N2/c1-14-5-4-6-15(11-14)12-19-10-9-16-13-20-18-8-3-2-7-17(16)18/h2-8,11,13,19-20H,9-10,12H2,1H3

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)=46.7852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.372 g/mol  logS: -3.71857  SlogP: 4.07499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261051  Sterimol/B1: 3.04151  Sterimol/B2: 3.21774  Sterimol/B3: 3.26457
  Sterimol/B4: 5.99893  Sterimol/L: 17.1158 
 
 Surface and Volume Properties
  Accessible surface: 557.289  Positive charged surface: 352.282  Negative charged surface: 200.713  Volume: 285.875
  Hydrophobic surface: 489.477  Hydrophilic surface: 67.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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:  
   
Parent related molecule:


MMs00270576
ASINEX-ZINC02380283