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


NCID-ZINC05179503

 MMsINC code: MMs02445923
Type: Neutral
Formula: C20H34O2
SMILES:   OC1CC2C(CCCC2(C)C)(C)C(CCC(O)(C=C)C)C1=C
InChI:   InChI=1/C20H34O2/c1-7-19(5,22)12-9-15-14(2)16(21)13-17-18(3,4)10-8-11-20(15,17)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16-,17+,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)=101.585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.49 g/mol  logS: -5.24684  SlogP: 4.4732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222784  Sterimol/B1: 4.11525  Sterimol/B2: 4.6359  Sterimol/B3: 4.91278
  Sterimol/B4: 5.10289  Sterimol/L: 15.1005 
 
 Surface and Volume Properties
  Accessible surface: 539.534  Positive charged surface: 364.036  Negative charged surface: 175.499  Volume: 338.75
  Hydrophobic surface: 352.865  Hydrophilic surface: 186.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.