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


AURORAFEINCHEMIE-ZINC03881932

 MMsINC code: MMs00457621
Type: Neutral
Formula: C24H30O6
SMILES:   O(C(=O)C)C1C2(C(CC1OC(=O)C)C1C(CC2)c2c(cc(OC(=O)C)cc2)CC1)C
InChI:   InChI=1/C24H30O6/c1-13(25)28-17-6-8-18-16(11-17)5-7-20-19(18)9-10-24(4)21(20)12-22(29-14(2)26)23(24)30-15(3)27/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3/t19-,20+,21+,22+,23-,24-/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)=159.63 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.498 g/mol  logS: -5.76569  SlogP: 3.94127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14878  Sterimol/B1: 4.91818  Sterimol/B2: 4.99682  Sterimol/B3: 5.563
  Sterimol/B4: 5.95952  Sterimol/L: 17.2738 
 
 Surface and Volume Properties
  Accessible surface: 672.152  Positive charged surface: 430.047  Negative charged surface: 242.105  Volume: 394.875
  Hydrophobic surface: 552.386  Hydrophilic surface: 119.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.