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


PUBCHEM-ZINC03686095

 MMsINC code: MMs03041454
Type: Neutral
Formula: C23H24FN3O
SMILES:   Fc1cc2c([nH]c(-c3c4c(nccc4)c(OCC)cc3)c2CCCCN)cc1
InChI:   InChI=1/C23H24FN3O/c1-2-28-21-11-9-18(16-7-5-13-26-23(16)21)22-17(6-3-4-12-25)19-14-15(24)8-10-20(19)27-22/h5,7-11,13-14,27H,2-4,6,12,25H2,1H3

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)=83.0128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.463 g/mol  logS: -5.461  SlogP: 5.20227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20413  Sterimol/B1: 2.77905  Sterimol/B2: 5.185  Sterimol/B3: 6.92601
  Sterimol/B4: 8.07591  Sterimol/L: 17.1451 
 
 Surface and Volume Properties
  Accessible surface: 671.973  Positive charged surface: 458.994  Negative charged surface: 206.133  Volume: 374.125
  Hydrophobic surface: 536.669  Hydrophilic surface: 135.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03041455
PUBCHEM-ZINC03686095