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


PUBCHEM-ZINC05275551

 MMsINC code: MMs03229955
Type: Neutral
Formula: C19H28F2O
SMILES:   FC1(F)CC2C(C3CCCC13C)CCC1CC(=O)CCC12C
InChI:   InChI=1/C19H28F2O/c1-17-9-7-13(22)10-12(17)5-6-14-15-4-3-8-18(15,2)19(20,21)11-16(14)17/h12,14-16H,3-11H2,1-2H3/t12-,14-,15+,16-,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)=118.463 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: 0.181772  Sterimol/B1: 2.55029  Sterimol/B2: 2.70295  Sterimol/B3: 4.80971
  Sterimol/B4: 6.09496  Sterimol/L: 12.9107 
 
 Surface and Volume Properties
  Accessible surface: 476.623  Positive charged surface: 307.851  Negative charged surface: 168.772  Volume: 299.25
  Hydrophobic surface: 357.859  Hydrophilic surface: 118.764
 
 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.