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


PUBCHEM-ZINC04095984

 MMsINC code: MMs03089660
Type: Neutral
Formula: C19H32O
SMILES:   OC1C2C(CCC3(C2CCC3)C)C2(C(C1)CCCC2)C
InChI:   InChI=1/C19H32O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h13-17,20H,3-12H2,1-2H3/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)=112.501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.464 g/mol  logS: -6.93743  SlogP: 4.7801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.30186  Sterimol/B1: 2.54279  Sterimol/B2: 3.75321  Sterimol/B3: 5.16877
  Sterimol/B4: 6.02959  Sterimol/L: 12.1902 
 
 Surface and Volume Properties
  Accessible surface: 467.152  Positive charged surface: 371.114  Negative charged surface: 96.0382  Volume: 297.125
  Hydrophobic surface: 416.016  Hydrophilic surface: 51.136
 
 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.