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


NCID-ZINC01625334

 MMsINC code: MMs02272093
Type: Neutral
Formula: C5H13NO3S
SMILES:   S(O)(=O)(=O)CCCCCN
InChI:   InChI=1/C5H13NO3S/c6-4-2-1-3-5-10(7,8)9/h1-6H2,(H,7,8,9)

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)=-7.97266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.229 g/mol  logS: 0.09224  SlogP: -0.5625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565261  Sterimol/B1: 2.30839  Sterimol/B2: 2.8717  Sterimol/B3: 3.19506
  Sterimol/B4: 3.58644  Sterimol/L: 13.1621 
 
 Surface and Volume Properties
  Accessible surface: 364.274  Positive charged surface: 242.058  Negative charged surface: 122.217  Volume: 148.25
  Hydrophobic surface: 172.268  Hydrophilic surface: 192.006
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.