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


NCID-ZINC04775825

 MMsINC code: MMs02404364
Type: Neutral
Formula: C26H34O4
SMILES:   O(C(=O)C)C1CCC2C3C(c4c(CC3)c(cc(CC=C)c4OC(=O)C)C)CCC12C
InChI:   InChI=1/C26H34O4/c1-6-7-18-14-15(2)19-8-9-20-21(24(19)25(18)30-17(4)28)12-13-26(5)22(20)10-11-23(26)29-16(3)27/h6,14,20-23H,1,7-13H2,2-5H3/t20-,21+,22-,23+,26-/m1/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)=149.836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.554 g/mol  logS: -6.87056  SlogP: 5.43656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117312  Sterimol/B1: 2.11072  Sterimol/B2: 3.85175  Sterimol/B3: 4.72097
  Sterimol/B4: 9.39091  Sterimol/L: 17.1933 
 
 Surface and Volume Properties
  Accessible surface: 662.97  Positive charged surface: 435.804  Negative charged surface: 227.166  Volume: 417.875
  Hydrophobic surface: 550.849  Hydrophilic surface: 112.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.