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


OAKWOOD-ZINC04243698

 MMsINC code: MMs02548950
Type: Neutral
Formula: C14H18F2O2
SMILES:   FC(F)C(=O)CC(=O)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C14H18F2O2/c15-13(16)11(17)4-12(18)14-5-8-1-9(6-14)3-10(2-8)7-14/h8-10,13H,1-7H2/t8-,9+,10-,14-

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)=58.9909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.292 g/mol  logS: -4.06114  SlogP: 3.4161  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.177084  Sterimol/B1: 2.38892  Sterimol/B2: 3.43551  Sterimol/B3: 4.40085
  Sterimol/B4: 4.92614  Sterimol/L: 12.8456 
 
 Surface and Volume Properties
  Accessible surface: 430.647  Positive charged surface: 282.138  Negative charged surface: 148.51  Volume: 230
  Hydrophobic surface: 296.76  Hydrophilic surface: 133.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02548952
OAKWOOD-ZINC04243698


MMs02548953
OAKWOOD-ZINC04243698


MMs02548951
OAKWOOD-ZINC04243698


MMs02548954
OAKWOOD-ZINC04243698