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


NCID-ZINC01595592

 MMsINC code: MMs02249868
Type: Neutral
Formula: C5H11NOS
SMILES:   S(CCCC(=O)N)C
InChI:   InChI=1/C5H11NOS/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H2,6,7)

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)=3.32358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.215 g/mol  logS: -0.94467  SlogP: 0.6149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417361  Sterimol/B1: 2.37491  Sterimol/B2: 2.37569  Sterimol/B3: 2.524
  Sterimol/B4: 3.38537  Sterimol/L: 12.3332 
 
 Surface and Volume Properties
  Accessible surface: 331.325  Positive charged surface: 221.628  Negative charged surface: 109.697  Volume: 132.875
  Hydrophobic surface: 184.447  Hydrophilic surface: 146.878
 
 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.