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ACROSORGANICS-ZINC03861696

 MMsINC code: MMs00016067
Type: Neutral
Formula: C5H12S2
SMILES:   SCCCCCS
InChI:   InChI=1/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.45948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.283 g/mol  logS: -2.17277  SlogP: 2.0163  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0618097  Sterimol/B1: 2.11451  Sterimol/B2: 2.37501  Sterimol/B3: 2.37602
  Sterimol/B4: 3.23289  Sterimol/L: 12.5804 
 
 Surface and Volume Properties
  Accessible surface: 341.777  Positive charged surface: 221.273  Negative charged surface: 120.504  Volume: 141
  Hydrophobic surface: 232.265  Hydrophilic surface: 109.512
 
 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.