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


CHEMBLOCK-ZINC03117750

 MMsINC code: MMs00536899
Type: Neutral
Formula: C24H26N2O3S
SMILES:   S(=O)(=O)(N(CC(=O)NC(C)c1ccccc1)c1ccccc1C)c1ccc(cc1)C
InChI:   InChI=1/C24H26N2O3S/c1-18-13-15-22(16-14-18)30(28,29)26(23-12-8-7-9-19(23)2)17-24(27)25-20(3)21-10-5-4-6-11-21/h4-16,20H,17H2,1-3H3,(H,25,27)/t20-/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)=104.697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.549 g/mol  logS: -6.02437  SlogP: 4.47164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732157  Sterimol/B1: 2.31529  Sterimol/B2: 3.45604  Sterimol/B3: 4.85089
  Sterimol/B4: 9.83295  Sterimol/L: 17.987 
 
 Surface and Volume Properties
  Accessible surface: 689.274  Positive charged surface: 395.071  Negative charged surface: 294.203  Volume: 408.125
  Hydrophobic surface: 595.747  Hydrophilic surface: 93.527
 
 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.