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NCID-ZINC05339219

 MMsINC code: MMs02452330
Type: Neutral
Formula: C4H11S+
SMILES:   [S+](CC)(C)C
InChI:   InChI=1/C4H11S/c1-4-5(2)3/h4H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.91115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 91.198 g/mol  logS: -0.77925  SlogP: 0.8842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138003  Sterimol/B1: 2.54735  Sterimol/B2: 2.94226  Sterimol/B3: 3.31781
  Sterimol/B4: 3.78879  Sterimol/L: 8.80316 
 
 Surface and Volume Properties
  Accessible surface: 277.371  Positive charged surface: 202.731  Negative charged surface: 74.6407  Volume: 109.125
  Hydrophobic surface: 189.917  Hydrophilic surface: 87.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.