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


PUBCHEM-ZINC02170768

 MMsINC code: MMs02879978
Type: Neutral
Formula: C26H38O2
SMILES:   Oc1c(cc(cc1C(C)(C)C)C)C(CCC)c1cc(cc(C(C)(C)C)c1O)C
InChI:   InChI=1/C26H38O2/c1-10-11-18(19-12-16(2)14-21(23(19)27)25(4,5)6)20-13-17(3)15-22(24(20)28)26(7,8)9/h12-15,18,27-28H,10-11H2,1-9H3

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)=136.25 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.588 g/mol  logS: -8.36967  SlogP: 7.24164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282669  Sterimol/B1: 2.11823  Sterimol/B2: 2.15984  Sterimol/B3: 8.22641
  Sterimol/B4: 9.56097  Sterimol/L: 14.8369 
 
 Surface and Volume Properties
  Accessible surface: 688.741  Positive charged surface: 475.271  Negative charged surface: 213.47  Volume: 425.75
  Hydrophobic surface: 538.17  Hydrophilic surface: 150.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.