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


ALFAAESAR-ZINC01706239

 MMsINC code: MMs00022016
Type: Neutral
Formula: C3H9NO3S
SMILES:   S(O)(=O)(=O)CCNC
InChI:   InChI=1/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)

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)=-9.64743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.175 g/mol  logS: 0.62197  SlogP: -1.4721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0859988  Sterimol/B1: 2.67881  Sterimol/B2: 3.01202  Sterimol/B3: 3.13535
  Sterimol/B4: 3.32555  Sterimol/L: 10.8453 
 
 Surface and Volume Properties
  Accessible surface: 305.514  Positive charged surface: 200.691  Negative charged surface: 104.824  Volume: 114.125
  Hydrophobic surface: 154.448  Hydrophilic surface: 151.066
 
 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.