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


CHEMDIV-ZINC06034399

 MMsINC code: MMs00997853
Type: Neutral
Formula: C23H22ClNO2S
SMILES:   Clc1cc(S(=O)(=O)N2c3c(cc(cc3)C)C(CC2C)c2ccccc2)ccc1
InChI:   InChI=1/C23H22ClNO2S/c1-16-11-12-23-22(13-16)21(18-7-4-3-5-8-18)14-17(2)25(23)28(26,27)20-10-6-9-19(24)15-20/h3-13,15,17,21H,14H2,1-2H3/t17-,21+/m1/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)=105.604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.953 g/mol  logS: -6.68582  SlogP: 5.76782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109504  Sterimol/B1: 2.29286  Sterimol/B2: 2.98088  Sterimol/B3: 5.08177
  Sterimol/B4: 8.59278  Sterimol/L: 16.8611 
 
 Surface and Volume Properties
  Accessible surface: 627.582  Positive charged surface: 306.937  Negative charged surface: 320.645  Volume: 380.5
  Hydrophobic surface: 555.78  Hydrophilic surface: 71.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.