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


PUBCHEM-ZINC05734913

 MMsINC code: MMs03365061
Type: Neutral
Formula: C24H40O4
SMILES:   OC1CC2C(C3CCC(C(CCC(O)=O)C)C13C)CCC1CC(O)CCC12C
InChI:   InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19-,20-,21-,23-,24+/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)=152.008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.58 g/mol  logS: -5.63695  SlogP: 4.4779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144777  Sterimol/B1: 3.44025  Sterimol/B2: 3.71249  Sterimol/B3: 5.22392
  Sterimol/B4: 7.06343  Sterimol/L: 15.26 
 
 Surface and Volume Properties
  Accessible surface: 610.188  Positive charged surface: 442.923  Negative charged surface: 167.266  Volume: 396.375
  Hydrophobic surface: 387.405  Hydrophilic surface: 222.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 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


MMs03365062
PUBCHEM-ZINC05734913