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ALFAAESAR-ZINC04362785

 MMsINC code: MMs00024776
Type: Neutral
Formula: C4H10S3
SMILES:   S(CCS)CCS
InChI:   InChI=1/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.9308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.322 g/mol  logS: -2.55934  SlogP: 1.5792  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0437601  Sterimol/B1: 2.37557  Sterimol/B2: 2.37569  Sterimol/B3: 2.50264
  Sterimol/B4: 3.31434  Sterimol/L: 12.9919 
 
 Surface and Volume Properties
  Accessible surface: 352.514  Positive charged surface: 210.737  Negative charged surface: 141.778  Volume: 143.625
  Hydrophobic surface: 210.737  Hydrophilic surface: 141.777
 
 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.