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NCID-ZINC05217756

 MMsINC code: MMs02450048
Type: Neutral
Formula: C5H10S2
SMILES:   S1CSCCC1C
InChI:   InChI=1/C5H10S2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.20688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.267 g/mol  logS: -1.95762  SlogP: 2.2025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177709  Sterimol/B1: 2.79472  Sterimol/B2: 2.90963  Sterimol/B3: 3.2791
  Sterimol/B4: 4.51973  Sterimol/L: 8.78916 
 
 Surface and Volume Properties
  Accessible surface: 299.31  Positive charged surface: 192.802  Negative charged surface: 106.508  Volume: 127.625
  Hydrophobic surface: 187.233  Hydrophilic surface: 112.077
 
 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.