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


PUBCHEM-ZINC05757613

 MMsINC code: MMs03372694
Type: Neutral
Formula: C20H30O2
SMILES:   OC1CC2(C3CC(=O)C=C(C)C3(CCC2CC1(C=C)C)C)C
InChI:   InChI=1/C20H30O2/c1-6-18(3)11-14-7-8-19(4)13(2)9-15(21)10-16(19)20(14,5)12-17(18)22/h6,9,14,16-17,22H,1,7-8,10-12H2,2-5H3/t14-,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)=127.62 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.458 g/mol  logS: -4.72873  SlogP: 4.2913  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.178046  Sterimol/B1: 3.04378  Sterimol/B2: 3.48845  Sterimol/B3: 4.62696
  Sterimol/B4: 6.3126  Sterimol/L: 14.3522 
 
 Surface and Volume Properties
  Accessible surface: 506.145  Positive charged surface: 322.215  Negative charged surface: 183.93  Volume: 318.5
  Hydrophobic surface: 341.131  Hydrophilic surface: 165.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.