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


APOLLO-ZINC00160561

 MMsINC code: MMs00045866
Type: Neutral
Formula: C10H15NO2S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C10H15NO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)

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)=23.3199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.301 g/mol  logS: -3.63107  SlogP: 1.6315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124297  Sterimol/B1: 2.40808  Sterimol/B2: 2.89558  Sterimol/B3: 4.34051
  Sterimol/B4: 4.81889  Sterimol/L: 12.1256 
 
 Surface and Volume Properties
  Accessible surface: 411.603  Positive charged surface: 232.632  Negative charged surface: 178.972  Volume: 199.625
  Hydrophobic surface: 225.4  Hydrophilic surface: 186.203
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00045867
APOLLO-ZINC00160561