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


NCID-ZINC01613330

 MMsINC code: MMs02263489
Type: Neutral
Formula: C10H10S
SMILES:   S(\C=C\C=C)c1ccccc1
InChI:   InChI=1/C10H10S/c1-2-3-9-11-10-7-5-4-6-8-10/h2-9H,1H2/b9-3+

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)=24.3 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.256 g/mol  logS: -3.48853  SlogP: 3.4784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686392  Sterimol/B1: 2.71435  Sterimol/B2: 3.65845  Sterimol/B3: 3.80227
  Sterimol/B4: 4.21662  Sterimol/L: 13.2246 
 
 Surface and Volume Properties
  Accessible surface: 386.262  Positive charged surface: 188.45  Negative charged surface: 197.812  Volume: 172.125
  Hydrophobic surface: 311.591  Hydrophilic surface: 74.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.