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


ENAMINE-ZINC03167252

 MMsINC code: MMs01293031
Type: Neutral
Formula: C24H30N4
SMILES:   N(/N1CCN(CC1)c1ccc(cc1)C)=C\C=C\1/N(c2c(cccc2)C/1(C)C)C
InChI:   InChI=1/C24H30N4/c1-19-9-11-20(12-10-19)27-15-17-28(18-16-27)25-14-13-23-24(2,3)21-7-5-6-8-22(21)26(23)4/h5-14H,15-18H2,1-4H3/b23-13-,25-14+

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)=216.719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.532 g/mol  logS: -4.71577  SlogP: 4.41432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416651  Sterimol/B1: 2.98526  Sterimol/B2: 3.81585  Sterimol/B3: 4.95416
  Sterimol/B4: 6.54767  Sterimol/L: 20.6885 
 
 Surface and Volume Properties
  Accessible surface: 679.921  Positive charged surface: 470.101  Negative charged surface: 209.82  Volume: 396.625
  Hydrophobic surface: 613.165  Hydrophilic surface: 66.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.