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


CHEMDIV-ZINC04907968

 MMsINC code: MMs00963553
Type: Neutral
Formula: C24H28N2OS
SMILES:   S1CCN(c2cc(ccc12)C(=O)NCCC=1CCCCC=1)Cc1ccccc1
InChI:   InChI=1/C24H28N2OS/c27-24(25-14-13-19-7-3-1-4-8-19)21-11-12-23-22(17-21)26(15-16-28-23)18-20-9-5-2-6-10-20/h2,5-7,9-12,17H,1,3-4,8,13-16,18H2,(H,25,27)

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)=145.029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.567 g/mol  logS: -6.36391  SlogP: 5.6856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346288  Sterimol/B1: 2.24115  Sterimol/B2: 3.15616  Sterimol/B3: 3.81727
  Sterimol/B4: 9.01722  Sterimol/L: 20.156 
 
 Surface and Volume Properties
  Accessible surface: 699.986  Positive charged surface: 457.099  Negative charged surface: 242.887  Volume: 395.5
  Hydrophobic surface: 594.894  Hydrophilic surface: 105.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.