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


NCID-ZINC01678373

 MMsINC code: MMs02313159
Type: Neutral
Formula: C20H24N2OS
SMILES:   S1c2c(N(c3c1cccc3)C(CN(C)C)C)cc(cc2)C(=O)CC
InChI:   InChI=1/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(14(2)13-21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3/t14-/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)=151.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.491 g/mol  logS: -4.47934  SlogP: 4.8321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161728  Sterimol/B1: 3.75484  Sterimol/B2: 4.18705  Sterimol/B3: 4.96511
  Sterimol/B4: 5.93049  Sterimol/L: 15.6037 
 
 Surface and Volume Properties
  Accessible surface: 575.627  Positive charged surface: 386.874  Negative charged surface: 188.754  Volume: 343
  Hydrophobic surface: 468.941  Hydrophilic surface: 106.686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02313160
NCID-ZINC01678373