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


ENAMINE-ZINC01802426

 MMsINC code: MMs01244662
Type: Neutral
Formula: C26H25N3
SMILES:   [nH]1cc(c2c1cccc2)C\C=C/1\NN(C(C\1)c1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C26H25N3/c1-19-11-13-20(14-12-19)26-17-22(28-29(26)23-7-3-2-4-8-23)16-15-21-18-27-25-10-6-5-9-24(21)25/h2-14,16,18,26-28H,15,17H2,1H3/b22-16-/t26-/m1/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)=110.905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.507 g/mol  logS: -5.73586  SlogP: 6.15439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623552  Sterimol/B1: 2.26131  Sterimol/B2: 2.88789  Sterimol/B3: 4.9425
  Sterimol/B4: 9.55869  Sterimol/L: 18.6147 
 
 Surface and Volume Properties
  Accessible surface: 690.218  Positive charged surface: 412.819  Negative charged surface: 272.786  Volume: 394.5
  Hydrophobic surface: 629.424  Hydrophilic surface: 60.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.