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


MDPI-ZINC03844839

 MMsINC code: MMs02178118
Type: Neutral
Formula: C24H26N4
SMILES:   N(=Nc1ccc(cc1)C)c1cc(C)c(N=Nc2ccc(cc2)C)cc1C(C)C
InChI:   InChI=1/C24H26N4/c1-16(2)22-15-23(27-25-20-10-6-17(3)7-11-20)19(5)14-24(22)28-26-21-12-8-18(4)9-13-21/h6-16H,1-5H3/b27-25-,28-26+

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)=93.6584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.5 g/mol  logS: -7.4697  SlogP: 8.56606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185674  Sterimol/B1: 4.16246  Sterimol/B2: 5.06031  Sterimol/B3: 5.99313
  Sterimol/B4: 6.28102  Sterimol/L: 16.6466 
 
 Surface and Volume Properties
  Accessible surface: 660.938  Positive charged surface: 394.513  Negative charged surface: 266.425  Volume: 396.375
  Hydrophobic surface: 631.855  Hydrophilic surface: 29.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02178119
MDPI-ZINC03844839