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


PUBCHEM-ZINC06491910

 MMsINC code: MMs03765543
Type: Neutral
Formula: C16H20FNO2
SMILES:   FCC(NCC(O)COc1c2c(ccc1)cccc2)C
InChI:   InChI=1/C16H20FNO2/c1-12(9-17)18-10-14(19)11-20-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,18-19H,9-11H2,1H3/t12-,14+/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)=80.1608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.339 g/mol  logS: -3.52844  SlogP: 2.5271  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0333701  Sterimol/B1: 2.25718  Sterimol/B2: 4.43423  Sterimol/B3: 4.67089
  Sterimol/B4: 5.48151  Sterimol/L: 16.8975 
 
 Surface and Volume Properties
  Accessible surface: 546.511  Positive charged surface: 337.775  Negative charged surface: 196.804  Volume: 274.625
  Hydrophobic surface: 438.817  Hydrophilic surface: 107.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03765544
PUBCHEM-ZINC06491910