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


PUBCHEM-ZINC06031519

 MMsINC code: MMs03504086
Type: Neutral
Formula: C24H34O6
SMILES:   O1C(CC(O)CC1=O)CCC1C2C(=CC(CC2OC(=O)C(C(=O)C)C)C)C=CC1C
InChI:   InChI=1/C24H34O6/c1-13-9-17-6-5-14(2)20(8-7-19-11-18(26)12-22(27)29-19)23(17)21(10-13)30-24(28)15(3)16(4)25/h5-6,9,13-15,18-21,23,26H,7-8,10-12H2,1-4H3/t13-,14+,15-,18-,19+,20+,21+,23-/m0/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)=150.8 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.53 g/mol  logS: -3.72403  SlogP: 3.3745  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999411  Sterimol/B1: 2.09229  Sterimol/B2: 3.74042  Sterimol/B3: 5.76929
  Sterimol/B4: 9.1066  Sterimol/L: 18.3787 
 
 Surface and Volume Properties
  Accessible surface: 681.896  Positive charged surface: 451.721  Negative charged surface: 230.175  Volume: 408.125
  Hydrophobic surface: 451.573  Hydrophilic surface: 230.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.