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


ENAMINE-ZINC05244832

 MMsINC code: MMs01601320
Type: Neutral
Formula: C24H34O4S
SMILES:   S(=O)(=O)(c1ccc(OCCCCCC)cc1)c1ccc(OCCCCCC)cc1
InChI:   InChI=1/C24H34O4S/c1-3-5-7-9-19-27-21-11-15-23(16-12-21)29(25,26)24-17-13-22(14-18-24)28-20-10-8-6-4-2/h11-18H,3-10,19-20H2,1-2H3

Download   format file 
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)=68.8477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.598 g/mol  logS: -7.59947  SlogP: 6.4376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328059  Sterimol/B1: 2.37645  Sterimol/B2: 4.23646  Sterimol/B3: 4.87567
  Sterimol/B4: 9.8865  Sterimol/L: 25.4948 
 
 Surface and Volume Properties
  Accessible surface: 812.693  Positive charged surface: 548.671  Negative charged surface: 264.022  Volume: 430.125
  Hydrophobic surface: 696.312  Hydrophilic surface: 116.381
 
 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.