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


PUBCHEM-ZINC06627875

 MMsINC code: MMs03829533
Type: Neutral
Formula: C19H20F2N2O2
SMILES:   Fc1cc(F)ccc1C(N1CCCCC1C(O)=O)c1ncc(cc1)C
InChI:   InChI=1/C19H20F2N2O2/c1-12-5-8-16(22-11-12)18(14-7-6-13(20)10-15(14)21)23-9-3-2-4-17(23)19(24)25/h5-8,10-11,17-18H,2-4,9H2,1H3,(H,24,25)/t17-,18+/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)=102.578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.377 g/mol  logS: -3.41943  SlogP: 3.79222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228024  Sterimol/B1: 3.12382  Sterimol/B2: 4.73055  Sterimol/B3: 4.97941
  Sterimol/B4: 7.52441  Sterimol/L: 12.9377 
 
 Surface and Volume Properties
  Accessible surface: 549.766  Positive charged surface: 346.244  Negative charged surface: 203.522  Volume: 314.25
  Hydrophobic surface: 482.841  Hydrophilic surface: 66.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.