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PUBCHEM-ZINC05957997

 MMsINC code: MMs03460829
Type: Neutral
Formula: C4H11NS
SMILES:   S(CN(C)C)C
InChI:   InChI=1/C4H11NS/c1-5(2)4-6-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.69204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 105.205 g/mol  logS: -0.18581  SlogP: 0.8685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20467  Sterimol/B1: 2.37313  Sterimol/B2: 2.45407  Sterimol/B3: 3.60797
  Sterimol/B4: 4.78002  Sterimol/L: 8.76791 
 
 Surface and Volume Properties
  Accessible surface: 291.96  Positive charged surface: 228.931  Negative charged surface: 63.0288  Volume: 118.25
  Hydrophobic surface: 247.194  Hydrophilic surface: 44.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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
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Ions/Tautomers related molecules: no related molecules available.