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


PUBCHEM-ZINC05440481

 MMsINC code: MMs03269736
Type: Neutral
Formula: C24H38O4
SMILES:   O(C(=O)C1(C2CC=C3C(CCC(=C3)C(C)C)C2(CCC1)C)C)CCOCCO
InChI:   InChI=1/C24H38O4/c1-17(2)18-6-8-20-19(16-18)7-9-21-23(20,3)10-5-11-24(21,4)22(26)28-15-14-27-13-12-25/h7,16-17,20-21,25H,5-6,8-15H2,1-4H3/t20-,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)=105.475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.564 g/mol  logS: -5.91508  SlogP: 4.6737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866647  Sterimol/B1: 2.43886  Sterimol/B2: 3.57313  Sterimol/B3: 5.72496
  Sterimol/B4: 6.57739  Sterimol/L: 20.3922 
 
 Surface and Volume Properties
  Accessible surface: 692.7  Positive charged surface: 535.749  Negative charged surface: 156.951  Volume: 408.75
  Hydrophobic surface: 541.037  Hydrophilic surface: 151.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.