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PUBCHEM-ZINC06485379

 MMsINC code: MMs03761524
Type: Neutral
Formula: C4H8S2
SMILES:   S1CC1CSC
InChI:   InChI=1/C4H8S2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.24 g/mol  logS: -1.72314  SlogP: 1.4648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855554  Sterimol/B1: 2.36114  Sterimol/B2: 2.86546  Sterimol/B3: 3.2286
  Sterimol/B4: 3.6986  Sterimol/L: 10.1235 
 
 Surface and Volume Properties
  Accessible surface: 298.665  Positive charged surface: 148.93  Negative charged surface: 149.734  Volume: 118.625
  Hydrophobic surface: 198.641  Hydrophilic surface: 100.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.