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


OTAVA-ZINC01921668

 MMsINC code: MMs02567210
Type: Neutral
Formula: C24H24N6O
SMILES:   O(c1ccc(Nc2nc(cc(n2)C)C)cc1)c1ccc(Nc2nc(cc(n2)C)C)cc1
InChI:   InChI=1/C24H24N6O/c1-15-13-16(2)26-23(25-15)29-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)30-24-27-17(3)14-18(4)28-24/h5-14H,1-4H3,(H,25,26,29)(H,27,28,30)

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)=80.9218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.497 g/mol  logS: -6.67099  SlogP: 5.77978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505923  Sterimol/B1: 2.26148  Sterimol/B2: 4.99703  Sterimol/B3: 6.29141
  Sterimol/B4: 6.7592  Sterimol/L: 21.2802 
 
 Surface and Volume Properties
  Accessible surface: 749.173  Positive charged surface: 486.179  Negative charged surface: 262.994  Volume: 405.5
  Hydrophobic surface: 654.612  Hydrophilic surface: 94.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.