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


CHEMBRIDGE-ZINC02987777

 MMsINC code: MMs00746478
Type: Neutral
Formula: C26H26N2O3
SMILES:   o1c2c(nc1-c1cc(NC(=O)c3ccc(OCCC)cc3)c(cc1)C)cc(cc2C)C
InChI:   InChI=1/C26H26N2O3/c1-5-12-30-21-10-8-19(9-11-21)25(29)27-22-15-20(7-6-17(22)3)26-28-23-14-16(2)13-18(4)24(23)31-26/h6-11,13-15H,5,12H2,1-4H3,(H,27,29)

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)=110.176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.505 g/mol  logS: -8.04476  SlogP: 6.46116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0115182  Sterimol/B1: 2.51661  Sterimol/B2: 3.98829  Sterimol/B3: 5.29447
  Sterimol/B4: 7.65485  Sterimol/L: 22.8671 
 
 Surface and Volume Properties
  Accessible surface: 758.681  Positive charged surface: 476.277  Negative charged surface: 282.405  Volume: 413.625
  Hydrophobic surface: 667.37  Hydrophilic surface: 91.311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.