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NCID-ZINC05133906

 MMsINC code: MMs02444477
Type: Neutral
Formula: C4H8S2
SMILES:   S1SCCCC1
InChI:   InChI=1/C4H8S2/c1-2-4-6-5-3-1/h1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.542696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.24 g/mol  logS: -2.2386  SlogP: 2.1616  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.273257  Sterimol/B1: 2.45086  Sterimol/B2: 2.54684  Sterimol/B3: 3.29181
  Sterimol/B4: 4.9014  Sterimol/L: 8.14966 
 
 Surface and Volume Properties
  Accessible surface: 268.686  Positive charged surface: 160.385  Negative charged surface: 108.301  Volume: 111.25
  Hydrophobic surface: 177.402  Hydrophilic surface: 91.284
 
 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.