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


ENAMINE-ZINC06935950

 MMsINC code: MMs01713299
Type: Neutral
Formula: C20H25NO2S2
SMILES:   S(c1cc(C)c(cc1)C)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChI:   InChI=1/C20H25NO2S2/c1-15-8-9-19(14-16(15)2)24-18-10-12-20(13-11-18)25(22,23)21-17-6-4-3-5-7-17/h8-14,17,21H,3-7H2,1-2H3

Download   format file 
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)=41.9859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.557 g/mol  logS: -6.4871  SlogP: 5.06564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598781  Sterimol/B1: 2.83637  Sterimol/B2: 4.10248  Sterimol/B3: 5.12454
  Sterimol/B4: 5.52524  Sterimol/L: 18.4297 
 
 Surface and Volume Properties
  Accessible surface: 634.659  Positive charged surface: 381.104  Negative charged surface: 253.555  Volume: 358.5
  Hydrophobic surface: 524.828  Hydrophilic surface: 109.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.