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


PUBCHEM-ZINC02894314

 MMsINC code: MMs02955520
Type: Neutral
Formula: C29H22N2O4
SMILES:   o1c2cc(ccc2nc1-c1cc(OC)ccc1)Cc1cc2nc(oc2cc1)-c1cc(OC)ccc1
InChI:   InChI=1/C29H22N2O4/c1-32-22-7-3-5-20(16-22)28-30-24-11-9-19(15-27(24)35-28)13-18-10-12-26-25(14-18)31-29(34-26)21-6-4-8-23(17-21)33-2/h3-12,14-17H,13H2,1-2H3

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)=122.601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.505 g/mol  logS: -10.2334  SlogP: 6.91097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0550838  Sterimol/B1: 2.2179  Sterimol/B2: 3.71942  Sterimol/B3: 5.57846
  Sterimol/B4: 8.93622  Sterimol/L: 24.1599 
 
 Surface and Volume Properties
  Accessible surface: 787.882  Positive charged surface: 514.963  Negative charged surface: 272.919  Volume: 441.625
  Hydrophobic surface: 691.718  Hydrophilic surface: 96.164
 
 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.