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


NCID-ZINC01630505

 MMsINC code: MMs02275714
Type: Neutral
Formula: C18H24O3
SMILES:   O1CCOC12C1CCc3c(ccc(OC)c3)C1(CCC2)C
InChI:   InChI=1/C18H24O3/c1-17-8-3-9-18(20-10-11-21-18)16(17)7-4-13-12-14(19-2)5-6-15(13)17/h5-6,12,16H,3-4,7-11H2,1-2H3/t16-,17+/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)=100.947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.387 g/mol  logS: -4.19317  SlogP: 3.44227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154023  Sterimol/B1: 2.41286  Sterimol/B2: 3.07494  Sterimol/B3: 5.00737
  Sterimol/B4: 5.91071  Sterimol/L: 15.1326 
 
 Surface and Volume Properties
  Accessible surface: 499.36  Positive charged surface: 396.169  Negative charged surface: 103.19  Volume: 289.625
  Hydrophobic surface: 469.08  Hydrophilic surface: 30.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.