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PUBCHEM-ZINC05761046

 MMsINC code: MMs03374276
Type: Neutral
Formula: C4H10S2
SMILES:   S(SC)C(C)C
InChI:   InChI=1/C4H10S2/c1-4(2)6-5-3/h4H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.243768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.256 g/mol  logS: -2.34064  SlogP: 2.406  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.113273  Sterimol/B1: 2.22191  Sterimol/B2: 2.39667  Sterimol/B3: 3.63105
  Sterimol/B4: 4.92973  Sterimol/L: 9.36952 
 
 Surface and Volume Properties
  Accessible surface: 299.903  Positive charged surface: 164.758  Negative charged surface: 135.145  Volume: 124.25
  Hydrophobic surface: 189.133  Hydrophilic surface: 110.77
 
 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.