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


PUBCHEM-ZINC05276410

 MMsINC code: MMs03230397
Type: Neutral
Formula: C19H28F2O
SMILES:   FC1(F)CC2CCC3C4CCC(=O)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C19H28F2O/c1-17-9-10-19(20,21)11-12(17)3-4-13-14-5-6-16(22)18(14,2)8-7-15(13)17/h12-15H,3-11H2,1-2H3/t12-,13-,14+,15-,17-,18+/m0/s1

Download   format file 
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)=116.347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.428 g/mol  logS: -5.45249  SlogP: 5.6534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163609  Sterimol/B1: 1.969  Sterimol/B2: 4.08135  Sterimol/B3: 4.84396
  Sterimol/B4: 5.55203  Sterimol/L: 13.7345 
 
 Surface and Volume Properties
  Accessible surface: 482.683  Positive charged surface: 310.701  Negative charged surface: 171.982  Volume: 298.625
  Hydrophobic surface: 353.964  Hydrophilic surface: 128.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.