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


ENAMINE-ZINC06049284

 MMsINC code: MMs01651063
Type: Neutral
Formula: C24H24O6
SMILES:   O(CC(=O)c1ccc(cc1)CC)C(=O)\C=C\C(OCC(=O)c1ccc(cc1)CC)=O
InChI:   InChI=1/C24H24O6/c1-3-17-5-9-19(10-6-17)21(25)15-29-23(27)13-14-24(28)30-16-22(26)20-11-7-18(4-2)8-12-20/h5-14H,3-4,15-16H2,1-2H3/b14-13+

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)=83.0596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.45 g/mol  logS: -7.08948  SlogP: 3.51954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00747601  Sterimol/B1: 1.99958  Sterimol/B2: 3.66285  Sterimol/B3: 3.81887
  Sterimol/B4: 4.76533  Sterimol/L: 27.8451 
 
 Surface and Volume Properties
  Accessible surface: 764.932  Positive charged surface: 437.656  Negative charged surface: 327.277  Volume: 400.625
  Hydrophobic surface: 557.914  Hydrophilic surface: 207.018
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.