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


PUBCHEM-ZINC06067693

 MMsINC code: MMs03520643
Type: Neutral
Formula: C18H28O2
SMILES:   OC1CC2C(C3C(C4CCC(=O)C4(CC3)C)CC2)CC1
InChI:   InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13+,14-,15-,16+,18+/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)=91.9324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.42 g/mol  logS: -4.03139  SlogP: 3.569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167421  Sterimol/B1: 2.09568  Sterimol/B2: 3.55747  Sterimol/B3: 4.99493
  Sterimol/B4: 5.53118  Sterimol/L: 13.3937 
 
 Surface and Volume Properties
  Accessible surface: 472.256  Positive charged surface: 352.007  Negative charged surface: 120.249  Volume: 284.375
  Hydrophobic surface: 376.645  Hydrophilic surface: 95.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.