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


ASINEX-ZINC00891769

 MMsINC code: MMs00209840
Type: Neutral
Formula: C24H22ClN3O3S
SMILES:   Clc1cc(S(=O)(=O)N(CC2=Cc3c(NC2=O)cc(cc3C)C)Cc2cccnc2)ccc1
InChI:   InChI=1/C24H22ClN3O3S/c1-16-9-17(2)22-11-19(24(29)27-23(22)10-16)15-28(14-18-5-4-8-26-13-18)32(30,31)21-7-3-6-20(25)12-21/h3-13H,14-15H2,1-2H3,(H,27,29)

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)=69.934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.977 g/mol  logS: -6.12457  SlogP: 4.84484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118523  Sterimol/B1: 2.61332  Sterimol/B2: 3.38496  Sterimol/B3: 5.24269
  Sterimol/B4: 8.52647  Sterimol/L: 16.9216 
 
 Surface and Volume Properties
  Accessible surface: 654.369  Positive charged surface: 361.954  Negative charged surface: 292.415  Volume: 421.125
  Hydrophobic surface: 533.415  Hydrophilic surface: 120.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.