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


CHEMBRIDGE-ZINC02177938

 MMsINC code: MMs00703473
Type: Neutral
Formula: C28H27NO2
SMILES:   O(Cc1ccccc1)c1ccc(cc1OC)CNC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H27NO2/c1-30-27-19-23(17-18-26(27)31-21-22-11-5-2-6-12-22)20-29-28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19,28-29H,20-21H2,1H3

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)=119.717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.529 g/mol  logS: -6.52984  SlogP: 6.7817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090489  Sterimol/B1: 2.35306  Sterimol/B2: 2.45019  Sterimol/B3: 6.90691
  Sterimol/B4: 9.86463  Sterimol/L: 19.8287 
 
 Surface and Volume Properties
  Accessible surface: 760.275  Positive charged surface: 475.812  Negative charged surface: 284.463  Volume: 429.125
  Hydrophobic surface: 730.582  Hydrophilic surface: 29.693
 
 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


MMs00703474
CHEMBRIDGE-ZINC02177938