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


CHEMDIV-ZINC06806948

 MMsINC code: MMs01034406
Type: Neutral
Formula: C26H26N4O
SMILES:   O=C(N1CCC(CC1)Cc1ccccc1)c1cnn(c1-n1cccc1)-c1ccccc1
InChI:   InChI=1/C26H26N4O/c31-26(29-17-13-22(14-18-29)19-21-9-3-1-4-10-21)24-20-27-30(23-11-5-2-6-12-23)25(24)28-15-7-8-16-28/h1-12,15-16,20,22H,13-14,17-19H2

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)=116.864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.521 g/mol  logS: -4.82281  SlogP: 4.75787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937065  Sterimol/B1: 2.42888  Sterimol/B2: 3.40941  Sterimol/B3: 4.95184
  Sterimol/B4: 7.75519  Sterimol/L: 18.5659 
 
 Surface and Volume Properties
  Accessible surface: 681.099  Positive charged surface: 412.589  Negative charged surface: 268.51  Volume: 411.375
  Hydrophobic surface: 621.999  Hydrophilic surface: 59.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.