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


ASINEX-ZINC00178222

 MMsINC code: MMs00085511
Type: Neutral
Formula: C12H24N2O2S
SMILES:   S(=O)(=O)(N1CCN(CC1)C1CCCC1)CCC
InChI:   InChI=1/C12H24N2O2S/c1-2-11-17(15,16)14-9-7-13(8-10-14)12-5-3-4-6-12/h12H,2-11H2,1H3

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)=34.6744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.402 g/mol  logS: -1.00621  SlogP: 1.2864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121941  Sterimol/B1: 2.02044  Sterimol/B2: 3.56513  Sterimol/B3: 3.73765
  Sterimol/B4: 5.86977  Sterimol/L: 14.943 
 
 Surface and Volume Properties
  Accessible surface: 488.406  Positive charged surface: 373.216  Negative charged surface: 115.189  Volume: 257.375
  Hydrophobic surface: 407.697  Hydrophilic surface: 80.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00085512
ASINEX-ZINC00178222