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


PUBCHEM-ZINC03737356

 MMsINC code: MMs03064577
Type: Neutral
Formula: C26H26N2O2
SMILES:   O(C)c1cc(-c2ccccc2)c(OC)cc1C1NCCc2c1[nH]c1c2cc(cc1)C
InChI:   InChI=1/C26H26N2O2/c1-16-9-10-22-20(13-16)18-11-12-27-25(26(18)28-22)21-15-23(29-2)19(14-24(21)30-3)17-7-5-4-6-8-17/h4-10,13-15,25,27-28H,11-12H2,1-3H3/t25-/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)=109.501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.506 g/mol  logS: -6.52103  SlogP: 5.49109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16893  Sterimol/B1: 2.97579  Sterimol/B2: 3.51905  Sterimol/B3: 7.08084
  Sterimol/B4: 7.08823  Sterimol/L: 18.4324 
 
 Surface and Volume Properties
  Accessible surface: 698.733  Positive charged surface: 494.1  Negative charged surface: 194.28  Volume: 402
  Hydrophobic surface: 669.805  Hydrophilic surface: 28.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03064578
PUBCHEM-ZINC03737356