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


CHEMBLOCK-ZINC04364691

 MMsINC code: MMs00549537
Type: Neutral
Formula: C26H33NO2
SMILES:   O(C(CCN1CCCCC1)c1ccccc1)C(=O)C1(CCCC1)c1ccccc1
InChI:   InChI=1/C26H33NO2/c28-25(26(17-8-9-18-26)23-14-6-2-7-15-23)29-24(22-12-4-1-5-13-22)16-21-27-19-10-3-11-20-27/h1-2,4-7,12-15,24H,3,8-11,16-21H2/t24-/m0/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)=89.7532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.555 g/mol  logS: -5.78173  SlogP: 5.7544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0891167  Sterimol/B1: 2.45074  Sterimol/B2: 3.27353  Sterimol/B3: 4.63108
  Sterimol/B4: 12.3313  Sterimol/L: 16.1364 
 
 Surface and Volume Properties
  Accessible surface: 674.934  Positive charged surface: 456.211  Negative charged surface: 218.724  Volume: 413.125
  Hydrophobic surface: 658.098  Hydrophilic surface: 16.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00549538
CHEMBLOCK-ZINC04364691