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


PUBCHEM-ZINC03727216

 MMsINC code: MMs03059092
Type: Neutral
Formula: C23H23FN2O
SMILES:   Fc1cc(ccc1)C(N1CCNCC1)c1cc(Oc2ccccc2)ccc1
InChI:   InChI=1/C23H23FN2O/c24-20-8-4-6-18(16-20)23(26-14-12-25-13-15-26)19-7-5-11-22(17-19)27-21-9-2-1-3-10-21/h1-11,16-17,23,25H,12-15H2/t23-/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)=116.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.448 g/mol  logS: -5.0177  SlogP: 4.7081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134757  Sterimol/B1: 2.78152  Sterimol/B2: 4.95727  Sterimol/B3: 6.07414
  Sterimol/B4: 6.65845  Sterimol/L: 15.328 
 
 Surface and Volume Properties
  Accessible surface: 621.607  Positive charged surface: 397.315  Negative charged surface: 224.292  Volume: 359.125
  Hydrophobic surface: 589.799  Hydrophilic surface: 31.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03059093
PUBCHEM-ZINC03727216