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


ENAMINE-ZINC06086912

 MMsINC code: MMs01655415
Type: Neutral
Formula: C24H24N2O3S
SMILES:   S(=O)(=O)(N1CCCCC1)c1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1
InChI:   InChI=1/C24H24N2O3S/c27-24(23-15-6-5-14-22(23)19-10-3-1-4-11-19)25-20-12-9-13-21(18-20)30(28,29)26-16-7-2-8-17-26/h1,3-6,9-15,18H,2,7-8,16-17H2,(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)=99.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.533 g/mol  logS: -6.44896  SlogP: 4.7805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381934  Sterimol/B1: 2.51409  Sterimol/B2: 3.5047  Sterimol/B3: 3.82837
  Sterimol/B4: 9.22478  Sterimol/L: 18.2093 
 
 Surface and Volume Properties
  Accessible surface: 693.651  Positive charged surface: 415.129  Negative charged surface: 276.019  Volume: 397.5
  Hydrophobic surface: 624.299  Hydrophilic surface: 69.352
 
 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.