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


PUBCHEM-ZINC05645220

 MMsINC code: MMs03333580
Type: Neutral
Formula: C24H30O4
SMILES:   O1C2C=C(OCC3C4(C(CC=C3C)C(C)(C)C(=O)CC4)C)C=CC2=CCC1=O
InChI:   InChI=1/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,13,18-20H,9-12,14H2,1-4H3/t18-,19-,20-,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)=181.763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.5 g/mol  logS: -4.2459  SlogP: 4.6764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.068454  Sterimol/B1: 2.38968  Sterimol/B2: 3.34727  Sterimol/B3: 3.68534
  Sterimol/B4: 8.43787  Sterimol/L: 16.871 
 
 Surface and Volume Properties
  Accessible surface: 615.327  Positive charged surface: 383.675  Negative charged surface: 231.652  Volume: 376.875
  Hydrophobic surface: 435.362  Hydrophilic surface: 179.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.