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


ENAMINE-ZINC03415185

 MMsINC code: MMs01428335
Type: Neutral
Formula: C24H27NO6
SMILES:   O(C)c1c(OC)cc(cc1OC)\C=C\C(OCC(=O)NC1CCCc2c1cccc2)=O
InChI:   InChI=1/C24H27NO6/c1-28-20-13-16(14-21(29-2)24(20)30-3)11-12-23(27)31-15-22(26)25-19-10-6-8-17-7-4-5-9-18(17)19/h4-5,7,9,11-14,19H,6,8,10,15H2,1-3H3,(H,25,26)/b12-11+/t19-/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)=129.566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.481 g/mol  logS: -5.2649  SlogP: 3.55807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421769  Sterimol/B1: 2.15836  Sterimol/B2: 3.56276  Sterimol/B3: 4.94949
  Sterimol/B4: 8.10933  Sterimol/L: 21.2742 
 
 Surface and Volume Properties
  Accessible surface: 759.435  Positive charged surface: 551.075  Negative charged surface: 208.36  Volume: 409.125
  Hydrophobic surface: 655.299  Hydrophilic surface: 104.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.