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


NCID-ZINC04362774

 MMsINC code: MMs02383982
Type: Neutral
Formula: C10H18S
SMILES:   SC1CC2CCC1(C)C2(C)C
InChI:   InChI=1/C10H18S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/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)=74.2005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.32 g/mol  logS: -3.38208  SlogP: 3.131  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.689427  Sterimol/B1: 3.31402  Sterimol/B2: 3.50403  Sterimol/B3: 4.20535
  Sterimol/B4: 4.67105  Sterimol/L: 9.41881 
 
 Surface and Volume Properties
  Accessible surface: 351.879  Positive charged surface: 233.94  Negative charged surface: 117.939  Volume: 184.125
  Hydrophobic surface: 264.007  Hydrophilic surface: 87.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.