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


PUBCHEM-ZINC00670066

 MMsINC code: MMs02724319
Type: Neutral
Formula: C24H26N2O3S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1c2c(ccc1)cccc2)C1CCCCC1)c1ccccc1
InChI:   InChI=1/C24H26N2O3S/c27-24(25-23-17-9-11-19-10-7-8-16-22(19)23)18-26(20-12-3-1-4-13-20)30(28,29)21-14-5-2-6-15-21/h2,5-11,14-17,20H,1,3-4,12-13,18H2,(H,25,27)

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)=103.158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.549 g/mol  logS: -6.64389  SlogP: 4.8019  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132365  Sterimol/B1: 3.06729  Sterimol/B2: 4.16676  Sterimol/B3: 5.80907
  Sterimol/B4: 9.31325  Sterimol/L: 17.7366 
 
 Surface and Volume Properties
  Accessible surface: 673.714  Positive charged surface: 384.993  Negative charged surface: 279.452  Volume: 401.375
  Hydrophobic surface: 606.75  Hydrophilic surface: 66.964
 
 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.