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


IBS-ZINC04028893

 MMsINC code: MMs01875687
Type: Neutral
Formula: C24H30O3
SMILES:   O1c2c(C3=C(CCCC3)C1=O)ccc(OC\C=C(\CCC=C(C)C)/C)c2C
InChI:   InChI=1/C24H30O3/c1-16(2)8-7-9-17(3)14-15-26-22-13-12-20-19-10-5-6-11-21(19)24(25)27-23(20)18(22)4/h8,12-14H,5-7,9-11,15H2,1-4H3/b17-14+

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)=95.3878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.501 g/mol  logS: -7.26849  SlogP: 6.31312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0320214  Sterimol/B1: 2.24702  Sterimol/B2: 3.09992  Sterimol/B3: 4.77835
  Sterimol/B4: 7.16088  Sterimol/L: 21.8546 
 
 Surface and Volume Properties
  Accessible surface: 692.736  Positive charged surface: 472.389  Negative charged surface: 220.347  Volume: 386.75
  Hydrophobic surface: 611.049  Hydrophilic surface: 81.687
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.