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


PUBCHEM-ZINC05420246

MMsINC code: MMs03263717

Type: Neutral
Formula: C3H9NS
SMILES:   SCCNC
InChI:   InChI=1/C3H9NS/c1-4-2-3-5/h4-5H,2-3H2,1H3

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)=7.60608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 91.178 g/mol  logS: -0.34594  SlogP: 0.1356  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0869967  Sterimol/B1: 2.58466  Sterimol/B2: 2.63765  Sterimol/B3: 2.77581
  Sterimol/B4: 2.95114  Sterimol/L: 9.77299 
 
 Surface and Volume Properties
  Accessible surface: 273.385  Positive charged surface: 211.109  Negative charged surface: 62.2767  Volume: 98.625
  Hydrophobic surface: 192.084  Hydrophilic surface: 81.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.