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APOLLO-ZINC04293857

 MMsINC code: MMs00058927
Type: Neutral
Formula: C4H10O2S3
SMILES:   S(=O)(=O)(CCS)CCS
InChI:   InChI=1/C4H10O2S3/c5-9(6,3-1-7)4-2-8/h7-8H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.11039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.32 g/mol  logS: -1.67863  SlogP: 0.2608  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0647568  Sterimol/B1: 2.87179  Sterimol/B2: 3.03535  Sterimol/B3: 3.0358
  Sterimol/B4: 3.32774  Sterimol/L: 12.9803 
 
 Surface and Volume Properties
  Accessible surface: 365.23  Positive charged surface: 189.021  Negative charged surface: 176.209  Volume: 155
  Hydrophobic surface: 194.673  Hydrophilic surface: 170.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.