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


NCID-ZINC01733553

 MMsINC code: MMs02355975
Type: Neutral
Formula: C19H28O2
SMILES:   O1C(CC)(C)C1CC\C(=C/COc1ccc(cc1)CC)\C
InChI:   InChI=1/C19H28O2/c1-5-16-8-10-17(11-9-16)20-14-13-15(3)7-12-18-19(4,6-2)21-18/h8-11,13,18H,5-7,12,14H2,1-4H3/b15-13-/t18-,19+/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)=71.8376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.431 g/mol  logS: -4.49198  SlogP: 4.92177  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.120507  Sterimol/B1: 3.6009  Sterimol/B2: 3.73721  Sterimol/B3: 4.13366
  Sterimol/B4: 7.89894  Sterimol/L: 13.9422 
 
 Surface and Volume Properties
  Accessible surface: 614.657  Positive charged surface: 404.079  Negative charged surface: 210.578  Volume: 320.75
  Hydrophobic surface: 526.775  Hydrophilic surface: 87.882
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.