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PUBCHEM-ZINC06293074

 MMsINC code: MMs03660549
Type: Neutral
Formula: C10H15S+
SMILES:   [SH+]=C1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C10H14S/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/p+1/t6-,7+,8-,9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.296 g/mol  logS: -3.10271  SlogP: 1.8941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.738755  Sterimol/B1: 3.02273  Sterimol/B2: 3.61777  Sterimol/B3: 3.65538
  Sterimol/B4: 4.76972  Sterimol/L: 9.40133 
 
 Surface and Volume Properties
  Accessible surface: 336.608  Positive charged surface: 238.668  Negative charged surface: 97.9398  Volume: 169.5
  Hydrophobic surface: 284.293  Hydrophilic surface: 52.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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
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Ions/Tautomers related molecules: no related molecules available.