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


PUBCHEM-ZINC05138187

 MMsINC code: MMs03210180
Type: Neutral
Formula: C10H18S
SMILES:   SC(CCC=C(C)C)(C=C)C
InChI:   InChI=1/C10H18S/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/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)=51.5309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.32 g/mol  logS: -3.27006  SlogP: 3.6073  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154355  Sterimol/B1: 2.54254  Sterimol/B2: 2.63625  Sterimol/B3: 4.28572
  Sterimol/B4: 4.71488  Sterimol/L: 12.3521 
 
 Surface and Volume Properties
  Accessible surface: 401.494  Positive charged surface: 250.744  Negative charged surface: 150.751  Volume: 197
  Hydrophobic surface: 298.191  Hydrophilic surface: 103.303
 
 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.