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


PUBCHEM-ZINC06883051

 MMsINC code: MMs03887043
Type: Neutral
Formula: C26H35NO4
SMILES:   O(CC(OC(=O)c1ccc(OC)cc1)CN1CCCCC1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C26H35NO4/c1-26(2,3)21-10-14-23(15-11-21)30-19-24(18-27-16-6-5-7-17-27)31-25(28)20-8-12-22(29-4)13-9-20/h8-15,24H,5-7,16-19H2,1-4H3/t24-/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)=114.972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.569 g/mol  logS: -6.33333  SlogP: 5.083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752482  Sterimol/B1: 2.79404  Sterimol/B2: 4.72141  Sterimol/B3: 5.38446
  Sterimol/B4: 9.96655  Sterimol/L: 18.4268 
 
 Surface and Volume Properties
  Accessible surface: 775.021  Positive charged surface: 554.04  Negative charged surface: 220.981  Volume: 442.75
  Hydrophobic surface: 686.718  Hydrophilic surface: 88.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs03887044
PUBCHEM-ZINC06883051