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


NCID-ZINC02030126

 MMsINC code: MMs02378441
Type: Neutral
Formula: C4H9NOS
SMILES:   S1CC(NC1)CO
InChI:   InChI=1/C4H9NOS/c6-1-4-2-7-3-5-4/h4-6H,1-3H2/t4-/m0/s1

Download   format file 
Drug Similarity  |  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)=19.3618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 119.188 g/mol  logS: -0.00116  SlogP: -0.3588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17044  Sterimol/B1: 2.38393  Sterimol/B2: 2.57747  Sterimol/B3: 3.15261
  Sterimol/B4: 4.46276  Sterimol/L: 8.88307 
 
 Surface and Volume Properties
  Accessible surface: 285.086  Positive charged surface: 210.09  Negative charged surface: 74.9963  Volume: 112.5
  Hydrophobic surface: 148.536  Hydrophilic surface: 136.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.