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


PUBCHEM-ZINC05276775

 MMsINC code: MMs03230606
Type: Neutral
Formula: C19H30O3
SMILES:   OC1CC2(C(C1)C1C(CC2)C2(C(CC(O)CC2)C(=O)C1)C)C
InChI:   InChI=1/C19H30O3/c1-18-5-4-14-13(15(18)8-12(21)10-18)9-17(22)16-7-11(20)3-6-19(14,16)2/h11-16,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16+,18+,19+/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)=112.712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.446 g/mol  logS: -3.5154  SlogP: 2.9299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141608  Sterimol/B1: 2.13497  Sterimol/B2: 3.93769  Sterimol/B3: 4.73266
  Sterimol/B4: 4.94016  Sterimol/L: 14.7446 
 
 Surface and Volume Properties
  Accessible surface: 496.958  Positive charged surface: 367.961  Negative charged surface: 128.997  Volume: 310.125
  Hydrophobic surface: 339.35  Hydrophilic surface: 157.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.