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


CHEMDIV-ZINC04918353

 MMsINC code: MMs00966897
Type: Neutral
Formula: C24H26O5
SMILES:   O(CC)c1ccccc1C1CC(=CC(=O)C1C(OCC)=O)c1ccc(OC)cc1
InChI:   InChI=1/C24H26O5/c1-4-28-22-9-7-6-8-19(22)20-14-17(16-10-12-18(27-3)13-11-16)15-21(25)23(20)24(26)29-5-2/h6-13,15,20,23H,4-5,14H2,1-3H3/t20-,23+/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)=92.58 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.467 g/mol  logS: -5.17317  SlogP: 4.4132  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.149329  Sterimol/B1: 2.26523  Sterimol/B2: 4.68476  Sterimol/B3: 5.72314
  Sterimol/B4: 11.2778  Sterimol/L: 16.4391 
 
 Surface and Volume Properties
  Accessible surface: 689.076  Positive charged surface: 466.675  Negative charged surface: 222.401  Volume: 390
  Hydrophobic surface: 568.411  Hydrophilic surface: 120.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.