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


CHEMDIV-ZINC04920150

 MMsINC code: MMs00967406
Type: Neutral
Formula: C24H26O5
SMILES:   O(C)c1ccc(OC)cc1C1CC(=CC(=O)C1C(OCC)=O)c1ccc(cc1)C
InChI:   InChI=1/C24H26O5/c1-5-29-24(26)23-20(19-14-18(27-3)10-11-22(19)28-4)12-17(13-21(23)25)16-8-6-15(2)7-9-16/h6-11,13-14,20,23H,5,12H2,1-4H3/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)=96.3852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.467 g/mol  logS: -5.31988  SlogP: 4.33152  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.176037  Sterimol/B1: 2.26865  Sterimol/B2: 3.76246  Sterimol/B3: 6.92149
  Sterimol/B4: 11.1079  Sterimol/L: 16.3485 
 
 Surface and Volume Properties
  Accessible surface: 696.527  Positive charged surface: 495.308  Negative charged surface: 201.219  Volume: 389.5
  Hydrophobic surface: 615.044  Hydrophilic surface: 81.483
 
 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.