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


AURORAFEINCHEMIE-ZINC06665534

 MMsINC code: MMs00477898
Type: Neutral
Formula: C28H26N2O
SMILES:   O=C(NC(C(NCc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H26N2O/c31-28(25-19-11-4-12-20-25)30-27(24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)29-21-22-13-5-1-6-14-22/h1-20,26-27,29H,21H2,(H,30,31)/t26-,27-/m1/s1

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)=131.923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.529 g/mol  logS: -6.60165  SlogP: 6.1462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200834  Sterimol/B1: 3.31617  Sterimol/B2: 4.14457  Sterimol/B3: 6.92894
  Sterimol/B4: 7.06614  Sterimol/L: 18.6931 
 
 Surface and Volume Properties
  Accessible surface: 701.526  Positive charged surface: 398.657  Negative charged surface: 302.869  Volume: 422.25
  Hydrophobic surface: 664.93  Hydrophilic surface: 36.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.