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


PUBCHEM-ZINC05459678

 MMsINC code: MMs03276179
Type: Neutral
Formula: C24H34O3
SMILES:   OC1C2C(C3CC(C)C(C(=O)CC)(C)C3(C1)C)CCC1=CC(=O)C=CC12C
InChI:   InChI=1/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17-,18+,19+,21+,22+,23+,24-/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)=187.83 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.533 g/mol  logS: -5.38493  SlogP: 4.4965  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.142396  Sterimol/B1: 2.46909  Sterimol/B2: 3.41339  Sterimol/B3: 5.39788
  Sterimol/B4: 6.33214  Sterimol/L: 16.9481 
 
 Surface and Volume Properties
  Accessible surface: 574.966  Positive charged surface: 387.24  Negative charged surface: 187.726  Volume: 377.875
  Hydrophobic surface: 400.185  Hydrophilic surface: 174.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.