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


PUBCHEM-ZINC03752643

 MMsINC code: MMs03070360
Type: Neutral
Formula: C24H27NO5
SMILES:   O(C1CCCCC1)c1cc2c([nH]c(-c3cccc(OC)c3OC)c2CC(O)=O)cc1
InChI:   InChI=1/C24H27NO5/c1-28-21-10-6-9-17(24(21)29-2)23-19(14-22(26)27)18-13-16(11-12-20(18)25-23)30-15-7-4-3-5-8-15/h6,9-13,15,25H,3-5,7-8,14H2,1-2H3,(H,26,27)

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)=101.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.482 g/mol  logS: -5.72311  SlogP: 5.19067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885391  Sterimol/B1: 3.15728  Sterimol/B2: 4.90064  Sterimol/B3: 5.38896
  Sterimol/B4: 5.66478  Sterimol/L: 18.419 
 
 Surface and Volume Properties
  Accessible surface: 683.841  Positive charged surface: 494.709  Negative charged surface: 186.419  Volume: 398.5
  Hydrophobic surface: 568.79  Hydrophilic surface: 115.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03070361
PUBCHEM-ZINC03752643