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


ACROSORGANICS-ZINC03861378

 MMsINC code: MMs00015880
Type: Neutral
Formula: C5H12S
SMILES:   SCC(CC)C
InChI:   InChI=1/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1

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)=10.9264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 104.217 g/mol  logS: -1.82497  SlogP: 1.9623  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.156138  Sterimol/B1: 2.67161  Sterimol/B2: 3.09863  Sterimol/B3: 3.09937
  Sterimol/B4: 3.7093  Sterimol/L: 9.88719 
 
 Surface and Volume Properties
  Accessible surface: 292.819  Positive charged surface: 196.73  Negative charged surface: 96.0889  Volume: 120.5
  Hydrophobic surface: 202.359  Hydrophilic surface: 90.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.