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


PUBCHEM-ZINC04666787

 MMsINC code: MMs03150297
Type: Neutral
Formula: C26H42O2
SMILES:   O=C1C2CC(=O)CCC2(C2C1C1CCC(C(CCCC(C)C)C)C1(CC2)C)C
InChI:   InChI=1/C26H42O2/c1-16(2)7-6-8-17(3)19-9-10-20-23-21(12-14-25(19,20)4)26(5)13-11-18(27)15-22(26)24(23)28/h16-17,19-23H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23+,25+,26+/m0/s1

Download   format file 
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)=204.519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.62 g/mol  logS: -8.67424  SlogP: 6.4657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0672834  Sterimol/B1: 2.54772  Sterimol/B2: 2.74154  Sterimol/B3: 4.44422
  Sterimol/B4: 8.03379  Sterimol/L: 18.8149 
 
 Surface and Volume Properties
  Accessible surface: 649.94  Positive charged surface: 465.47  Negative charged surface: 184.471  Volume: 415.125
  Hydrophobic surface: 496.747  Hydrophilic surface: 153.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.