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PUBCHEM-ZINC03165353

 MMsINC code: MMs03004120
Type: Neutral
Formula: C4H11PS2
SMILES:   S(P(=S)(C)C)CC
InChI:   InChI=1/C4H11PS2/c1-4-7-5(2,3)6/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.5259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.238 g/mol  logS: -1.78655  SlogP: 2.3936  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170127  Sterimol/B1: 3.09589  Sterimol/B2: 3.75951  Sterimol/B3: 3.92394
  Sterimol/B4: 4.08165  Sterimol/L: 9.70341 
 
 Surface and Volume Properties
  Accessible surface: 328.34  Positive charged surface: 183.844  Negative charged surface: 144.496  Volume: 146.75
  Hydrophobic surface: 183.844  Hydrophilic surface: 144.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.