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


PUBCHEM-ZINC02011285

 MMsINC code: MMs02849382
Type: Neutral
Formula: C10H10S
SMILES:   s1cc(c2c1cccc2C)C
InChI:   InChI=1/C10H10S/c1-7-4-3-5-9-10(7)8(2)6-11-9/h3-6H,1-2H3

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)=56.1641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.256 g/mol  logS: -3.5197  SlogP: 3.51814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353289  Sterimol/B1: 2.17745  Sterimol/B2: 2.33287  Sterimol/B3: 2.49641
  Sterimol/B4: 7.28031  Sterimol/L: 10.2479 
 
 Surface and Volume Properties
  Accessible surface: 346.376  Positive charged surface: 165.792  Negative charged surface: 174.876  Volume: 163.75
  Hydrophobic surface: 346.376  Hydrophilic surface: 0
 
 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.