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


PUBCHEM-ZINC05821875

 MMsINC code: MMs03400886
Type: Neutral
Formula: C26H46O
SMILES:   Oc1cc(ccc1)CCC(C(C)(C)C)CCCCC(C(C)(C)C)CCCC
InChI:   InChI=1/C26H46O/c1-8-9-14-22(25(2,3)4)15-10-11-16-23(26(5,6)7)19-18-21-13-12-17-24(27)20-21/h12-13,17,20,22-23,27H,8-11,14-16,18-19H2,1-7H3/t22-,23-/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)=187.522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.653 g/mol  logS: -11.286  SlogP: 8.39997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0542282  Sterimol/B1: 3.01659  Sterimol/B2: 4.57208  Sterimol/B3: 4.79807
  Sterimol/B4: 6.60724  Sterimol/L: 21.3354 
 
 Surface and Volume Properties
  Accessible surface: 737.694  Positive charged surface: 516.499  Negative charged surface: 221.195  Volume: 437.5
  Hydrophobic surface: 573.316  Hydrophilic surface: 164.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.