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


ASINEX-ZINC00921477

 MMsINC code: MMs00221379
Type: Neutral
Formula: C24H24N2O3S
SMILES:   S(=O)(=O)(N1Cc2c(CC1C(=O)NCc1ccccc1)cccc2)c1ccc(cc1)C
InChI:   InChI=1/C24H24N2O3S/c1-18-11-13-22(14-12-18)30(28,29)26-17-21-10-6-5-9-20(21)15-23(26)24(27)25-16-19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3,(H,25,27)/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)=95.1397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.533 g/mol  logS: -5.6646  SlogP: 3.95979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133246  Sterimol/B1: 2.36659  Sterimol/B2: 3.22403  Sterimol/B3: 6.12359
  Sterimol/B4: 10.4997  Sterimol/L: 16.5369 
 
 Surface and Volume Properties
  Accessible surface: 680.739  Positive charged surface: 394.922  Negative charged surface: 285.817  Volume: 396.375
  Hydrophobic surface: 606.102  Hydrophilic surface: 74.637
 
 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: no related molecules available.