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


NCID-ZINC01634548

 MMsINC code: MMs02278531
Type: Neutral
Formula: C24H30O3
SMILES:   O1c2c(cccc2)C(O)=C(C\C=C(/CC\C=C(/CCC=C(C)C)\C)\C)C1=O
InChI:   InChI=1/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+

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)=99.4777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.501 g/mol  logS: -7.82824  SlogP: 6.684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789484  Sterimol/B1: 2.54478  Sterimol/B2: 5.43746  Sterimol/B3: 5.61601
  Sterimol/B4: 6.06243  Sterimol/L: 19.2942 
 
 Surface and Volume Properties
  Accessible surface: 705.172  Positive charged surface: 455.024  Negative charged surface: 250.148  Volume: 388.625
  Hydrophobic surface: 597.849  Hydrophilic surface: 107.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.