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


PUBCHEM-ZINC06482566

 MMsINC code: MMs03758942
Type: Neutral
Formula: C17H22FNO2
SMILES:   FCCN1C2CCC1CC(C2C(OC)=O)c1ccccc1
InChI:   InChI=1/C17H22FNO2/c1-21-17(20)16-14(12-5-3-2-4-6-12)11-13-7-8-15(16)19(13)10-9-18/h2-6,13-16H,7-11H2,1H3/t13-,14-,15+,16-/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)=335.632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.366 g/mol  logS: -2.58369  SlogP: 2.7656  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.240218  Sterimol/B1: 2.50419  Sterimol/B2: 3.77103  Sterimol/B3: 3.91107
  Sterimol/B4: 9.11071  Sterimol/L: 12.6282 
 
 Surface and Volume Properties
  Accessible surface: 488.136  Positive charged surface: 349.941  Negative charged surface: 138.195  Volume: 278.25
  Hydrophobic surface: 425.091  Hydrophilic surface: 63.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03758943
PUBCHEM-ZINC06482566