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


PUBCHEM-ZINC06310401

 MMsINC code: MMs03669681
Type: Neutral
Formula: C24H34N2O3S
SMILES:   S(=O)(=O)(N(CCCC)CCCC)c1ccc(NC(=O)C(CC)c2ccccc2)cc1
InChI:   InChI=1/C24H34N2O3S/c1-4-7-18-26(19-8-5-2)30(28,29)22-16-14-21(15-17-22)25-24(27)23(6-3)20-12-10-9-11-13-20/h9-17,23H,4-8,18-19H2,1-3H3,(H,25,27)/t23-/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)=70.483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.613 g/mol  logS: -6.13529  SlogP: 5.4098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108322  Sterimol/B1: 2.37558  Sterimol/B2: 2.42527  Sterimol/B3: 6.97484
  Sterimol/B4: 9.67293  Sterimol/L: 18.3359 
 
 Surface and Volume Properties
  Accessible surface: 758.518  Positive charged surface: 495.848  Negative charged surface: 262.669  Volume: 437.125
  Hydrophobic surface: 612.851  Hydrophilic surface: 145.667
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.