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PUBCHEM-ZINC05921856

 MMsINC code: MMs03444199
Type: Neutral
Formula: C5H10S2
SMILES:   S1CC1CSCC
InChI:   InChI=1/C5H10S2/c1-2-6-3-5-4-7-5/h5H,2-4H2,1H3/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.2683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.267 g/mol  logS: -2.05035  SlogP: 1.8549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631604  Sterimol/B1: 2.38312  Sterimol/B2: 2.68818  Sterimol/B3: 3.0183
  Sterimol/B4: 3.70231  Sterimol/L: 11.342 
 
 Surface and Volume Properties
  Accessible surface: 332.227  Positive charged surface: 191.715  Negative charged surface: 140.513  Volume: 134.125
  Hydrophobic surface: 216.09  Hydrophilic surface: 116.137
 
 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.