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


PUBCHEM-ZINC05832002

 MMsINC code: MMs03406025
Type: Neutral
Formula: C18H30O
SMILES:   Oc1ccc(CCCC)c(CCCC)c1CCCC
InChI:   InChI=1/C18H30O/c1-4-7-10-15-13-14-18(19)17(12-9-6-3)16(15)11-8-5-2/h13-14,19H,4-12H2,1-3H3

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)=38.2379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.437 g/mol  logS: -6.76822  SlogP: 5.41991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293789  Sterimol/B1: 2.32164  Sterimol/B2: 4.10501  Sterimol/B3: 6.74224
  Sterimol/B4: 7.96123  Sterimol/L: 14.1293 
 
 Surface and Volume Properties
  Accessible surface: 568.987  Positive charged surface: 409.702  Negative charged surface: 159.285  Volume: 308.875
  Hydrophobic surface: 460.829  Hydrophilic surface: 108.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.