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


AURORAFEINCHEMIE-ZINC04082626

 MMsINC code: MMs00467356
Type: Neutral
Formula: C24H34O3
SMILES:   O(C(=O)C)C1CC2=CCC3C4CC=C(C(=O)CC)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C24H34O3/c1-5-22(26)21-9-8-19-18-7-6-16-14-17(27-15(2)25)10-12-23(16,3)20(18)11-13-24(19,21)4/h6,9,17-20H,5,7-8,10-14H2,1-4H3/t17-,18-,19-,20-,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)=133.967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.533 g/mol  logS: -5.90556  SlogP: 5.3963  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0578027  Sterimol/B1: 2.57245  Sterimol/B2: 2.94235  Sterimol/B3: 3.97051
  Sterimol/B4: 7.03946  Sterimol/L: 18.9988 
 
 Surface and Volume Properties
  Accessible surface: 614.91  Positive charged surface: 417.198  Negative charged surface: 197.712  Volume: 381.625
  Hydrophobic surface: 463.056  Hydrophilic surface: 151.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.