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


PUBCHEM-ZINC06395626

 MMsINC code: MMs03705575
Type: Neutral
Formula: C20H32O
SMILES:   OC1CCC2C3C(CCC12C)C1(C(CC(=CC1)C)CC3)C
InChI:   InChI=1/C20H32O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h8,14-18,21H,4-7,9-12H2,1-3H3/t14-,15-,16+,17-,18-,19+,20+/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)=118.695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.475 g/mol  logS: -5.79006  SlogP: 4.9462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142279  Sterimol/B1: 3.09161  Sterimol/B2: 3.80514  Sterimol/B3: 4.28511
  Sterimol/B4: 4.71482  Sterimol/L: 14.2869 
 
 Surface and Volume Properties
  Accessible surface: 502.838  Positive charged surface: 382.808  Negative charged surface: 120.03  Volume: 311.25
  Hydrophobic surface: 422.306  Hydrophilic surface: 80.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.