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


PUBCHEM-ZINC06469411

 MMsINC code: MMs03750964
Type: Neutral
Formula: C19H30O
SMILES:   OC1CC2CCC3C4CCCC4(CCC3C2(C=C1)C)C
InChI:   InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h7,11,13-17,20H,3-6,8-10,12H2,1-2H3/t13-,14-,15+,16+,17-,18-,19+/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)=87.1919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.448 g/mol  logS: -7.03331  SlogP: 4.5561  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.279698  Sterimol/B1: 2.43447  Sterimol/B2: 3.38124  Sterimol/B3: 5.1723
  Sterimol/B4: 6.51164  Sterimol/L: 12.5266 
 
 Surface and Volume Properties
  Accessible surface: 478.594  Positive charged surface: 364.339  Negative charged surface: 114.255  Volume: 298.125
  Hydrophobic surface: 382.34  Hydrophilic surface: 96.254
 
 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.