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


NCID-ZINC04692619

 MMsINC code: MMs02394104
Type: Neutral
Formula: C20H34O
SMILES:   OC1CCC2C3C(CCC12C)C1(CC(CCC1CC3)C)C
InChI:   InChI=1/C20H34O/c1-13-4-5-14-6-7-15-16-8-9-18(21)19(16,2)11-10-17(15)20(14,3)12-13/h13-18,21H,4-12H2,1-3H3/t13-,14+,15-,16+,17+,18+,19-,20-/m1/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)=112.518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.491 g/mol  logS: -7.1392  SlogP: 5.0261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175269  Sterimol/B1: 2.51697  Sterimol/B2: 4.06466  Sterimol/B3: 4.50423
  Sterimol/B4: 6.14002  Sterimol/L: 13.5503 
 
 Surface and Volume Properties
  Accessible surface: 500.978  Positive charged surface: 398.146  Negative charged surface: 102.832  Volume: 316.125
  Hydrophobic surface: 414.278  Hydrophilic surface: 86.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.