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


ASINEX-ZINC00840243

 MMsINC code: MMs00187673
Type: Neutral
Formula: C25H28N2O3S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)NCCc1ccccc1)c1cc(C)c(cc1)C)C
InChI:   InChI=1/C25H28N2O3S/c1-19-9-14-24(17-20(19)2)27(31(3,29)30)18-22-10-12-23(13-11-22)25(28)26-16-15-21-7-5-4-6-8-21/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)

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)=96.7518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.576 g/mol  logS: -5.98968  SlogP: 4.50851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556148  Sterimol/B1: 2.01911  Sterimol/B2: 3.14672  Sterimol/B3: 4.78925
  Sterimol/B4: 9.48011  Sterimol/L: 20.2632 
 
 Surface and Volume Properties
  Accessible surface: 753.352  Positive charged surface: 441.758  Negative charged surface: 311.594  Volume: 428.375
  Hydrophobic surface: 656.819  Hydrophilic surface: 96.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.