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


CHEMBRIDGE-ZINC04271491

 MMsINC code: MMs00767064
Type: Neutral
Formula: C24H24N4O2
SMILES:   o1c2ncnc(NCCN3CCOCC3)c2c(c1-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C24H24N4O2/c1-3-7-18(8-4-1)20-21-23(25-11-12-28-13-15-29-16-14-28)26-17-27-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,25,26,27)

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)=101.985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.482 g/mol  logS: -7.61622  SlogP: 4.3009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0500992  Sterimol/B1: 2.53252  Sterimol/B2: 3.46678  Sterimol/B3: 3.73243
  Sterimol/B4: 10.1  Sterimol/L: 18.466 
 
 Surface and Volume Properties
  Accessible surface: 678.688  Positive charged surface: 499.309  Negative charged surface: 174.662  Volume: 393.25
  Hydrophobic surface: 565.839  Hydrophilic surface: 112.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00767065
CHEMBRIDGE-ZINC04271491