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


PUBCHEM-ZINC00633248

 MMsINC code: MMs02716715
Type: Neutral
Formula: C26H34N4O3
SMILES:   O(C)c1ccccc1N1CCN(CC1)c1nc(nc2c1cc(OC)c(OC)c2)C(CC)CC
InChI:   InChI=1/C26H34N4O3/c1-6-18(7-2)25-27-20-17-24(33-5)23(32-4)16-19(20)26(28-25)30-14-12-29(13-15-30)21-10-8-9-11-22(21)31-3/h8-11,16-18H,6-7,12-15H2,1-5H3

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)=226.945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.583 g/mol  logS: -5.82109  SlogP: 4.8858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0718113  Sterimol/B1: 2.02055  Sterimol/B2: 2.38112  Sterimol/B3: 6.20797
  Sterimol/B4: 12.386  Sterimol/L: 18.2161 
 
 Surface and Volume Properties
  Accessible surface: 787.348  Positive charged surface: 628.47  Negative charged surface: 154.871  Volume: 454.25
  Hydrophobic surface: 696.147  Hydrophilic surface: 91.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.