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ACROSORGANICS-ZINC04706588

 MMsINC code: MMs00018507
Type: Neutral
Formula: C4H10S
SMILES:   SCCCC
InChI:   InChI=1/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.931502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 90.19 g/mol  logS: -1.6232  SlogP: 1.7163  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105248  Sterimol/B1: 2.37496  Sterimol/B2: 2.37573  Sterimol/B3: 2.85971
  Sterimol/B4: 2.89221  Sterimol/L: 9.88688 
 
 Surface and Volume Properties
  Accessible surface: 276.062  Positive charged surface: 188.96  Negative charged surface: 87.1019  Volume: 104.5
  Hydrophobic surface: 198.561  Hydrophilic surface: 77.501
 
 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.