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


PUBCHEM-ZINC01638236

 MMsINC code: MMs02817289
Type: Neutral
Formula: C29H26N2O2
SMILES:   O(C)c1ccc(OC)cc1C(Cc1c2c(ncc1)cccc2)Cc1c2c(ncc1)cccc2
InChI:   InChI=1/C29H26N2O2/c1-32-23-11-12-29(33-2)26(19-23)22(17-20-13-15-30-27-9-5-3-7-24(20)27)18-21-14-16-31-28-10-6-4-8-25(21)28/h3-16,19,22H,17-18H2,1-2H3

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)=144.647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.539 g/mol  logS: -6.85795  SlogP: 6.36914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273645  Sterimol/B1: 3.94661  Sterimol/B2: 5.28503  Sterimol/B3: 5.76111
  Sterimol/B4: 7.90711  Sterimol/L: 15.025 
 
 Surface and Volume Properties
  Accessible surface: 669.032  Positive charged surface: 458.991  Negative charged surface: 204.746  Volume: 436.125
  Hydrophobic surface: 622.151  Hydrophilic surface: 46.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.