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


ENAMINE-ZINC03336876

 MMsINC code: MMs01380427
Type: Neutral
Formula: C20H23FN2O2
SMILES:   Fc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1cc(ccc1)C
InChI:   InChI=1/C20H23FN2O2/c1-15-3-2-4-17(13-15)20(24)22-14-19(23-9-11-25-12-10-23)16-5-7-18(21)8-6-16/h2-8,13,19H,9-12,14H2,1H3,(H,22,24)/t19-/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)=100.764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.414 g/mol  logS: -4.25718  SlogP: 3.03292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0693546  Sterimol/B1: 3.44279  Sterimol/B2: 3.9692  Sterimol/B3: 4.07924
  Sterimol/B4: 7.94349  Sterimol/L: 16.8194 
 
 Surface and Volume Properties
  Accessible surface: 604.77  Positive charged surface: 393.374  Negative charged surface: 211.396  Volume: 334.25
  Hydrophobic surface: 553.217  Hydrophilic surface: 51.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01380428
ENAMINE-ZINC03336876