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ALFAAESAR-ZINC02038334

 MMsINC code: MMs00022467
Type: Neutral
Formula: C4H10S
SMILES:   S(CCC)C
InChI:   InChI=1/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.46806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 90.19 g/mol  logS: -1.1114  SlogP: 1.7594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842723  Sterimol/B1: 2.11222  Sterimol/B2: 2.37522  Sterimol/B3: 2.37534
  Sterimol/B4: 3.56808  Sterimol/L: 10.1454 
 
 Surface and Volume Properties
  Accessible surface: 282.212  Positive charged surface: 187.038  Negative charged surface: 95.174  Volume: 106.125
  Hydrophobic surface: 218.268  Hydrophilic surface: 63.944
 
 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.