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


PUBCHEM-ZINC05733912

 MMsINC code: MMs03364549
Type: Neutral
Formula: C18H26O
SMILES:   O(C\C=C(/CC\C=C(/CC)\C)\C)c1ccc(cc1)C
InChI:   InChI=1/C18H26O/c1-5-15(2)7-6-8-16(3)13-14-19-18-11-9-17(4)10-12-18/h7,9-13H,5-6,8,14H2,1-4H3/b15-7+,16-13+

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)=66.2024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.405 g/mol  logS: -5.43529  SlogP: 5.45662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309239  Sterimol/B1: 2.06639  Sterimol/B2: 3.38685  Sterimol/B3: 4.1687
  Sterimol/B4: 5.92126  Sterimol/L: 19.0243 
 
 Surface and Volume Properties
  Accessible surface: 585.057  Positive charged surface: 384.811  Negative charged surface: 200.245  Volume: 300.375
  Hydrophobic surface: 529.978  Hydrophilic surface: 55.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.