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


ENAMINE-ZINC03225173

 MMsINC code: MMs01315622
Type: Neutral
Formula: C19H20N2
SMILES:   N(N=C(c1ccccc1)c1ccccc1)C=1CCCCC=1
InChI:   InChI=1/C19H20N2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)21-20-18-14-8-3-9-15-18/h1-2,4-7,10-14,20H,3,8-9,15H2

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)=91.0284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.383 g/mol  logS: -4.45079  SlogP: 4.4865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391492  Sterimol/B1: 2.54045  Sterimol/B2: 2.85348  Sterimol/B3: 2.93409
  Sterimol/B4: 9.95423  Sterimol/L: 14.6566 
 
 Surface and Volume Properties
  Accessible surface: 543.819  Positive charged surface: 336.237  Negative charged surface: 207.582  Volume: 293.125
  Hydrophobic surface: 514.85  Hydrophilic surface: 28.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:  
   

Ions/Tautomers related molecules: no related molecules available.