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


PUBCHEM-ZINC06481296

 MMsINC code: MMs03757681
Type: Neutral
Formula: C17H22FNO2
SMILES:   FCc1ccccc1C1CC2N(C(CC2)C1C(OC)=O)C
InChI:   InChI=1/C17H22FNO2/c1-19-12-7-8-15(19)16(17(20)21-2)14(9-12)13-6-4-3-5-11(13)10-18/h3-6,12,14-16H,7-10H2,1-2H3/t12-,14-,15+,16+/m0/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)=508.694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.366 g/mol  logS: -2.55725  SlogP: 3.1618  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.356409  Sterimol/B1: 2.52689  Sterimol/B2: 2.87408  Sterimol/B3: 4.92158
  Sterimol/B4: 7.85166  Sterimol/L: 11.6693 
 
 Surface and Volume Properties
  Accessible surface: 456.644  Positive charged surface: 360.578  Negative charged surface: 96.0663  Volume: 268
  Hydrophobic surface: 399.423  Hydrophilic surface: 57.221
 
 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


MMs03757682
PUBCHEM-ZINC06481296