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


PUBCHEM-ZINC05275599

 MMsINC code: MMs03229980
Type: Neutral
Formula: C19H28O
SMILES:   O=C1CC=C2C3C(CCC12C)C1(C(CC3)CCCC1)C
InChI:   InChI=1/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h8,13-14,16H,3-7,9-12H2,1-2H3/t13-,14+,16+,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)=118.649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.432 g/mol  logS: -6.43563  SlogP: 4.9084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181475  Sterimol/B1: 2.2882  Sterimol/B2: 2.94589  Sterimol/B3: 4.49604
  Sterimol/B4: 6.31298  Sterimol/L: 13.4601 
 
 Surface and Volume Properties
  Accessible surface: 469.259  Positive charged surface: 345.594  Negative charged surface: 123.664  Volume: 287.875
  Hydrophobic surface: 388.44  Hydrophilic surface: 80.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.