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ACROSORGANICS-ZINC02038818

 MMsINC code: MMs00012626
Type: Neutral
Formula: C4H10S2
SMILES:   S(SC)CCC
InChI:   InChI=1/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.85969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.256 g/mol  logS: -2.2152  SlogP: 2.4076  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117882  Sterimol/B1: 2.32548  Sterimol/B2: 2.57104  Sterimol/B3: 3.55525
  Sterimol/B4: 4.44767  Sterimol/L: 9.90488 
 
 Surface and Volume Properties
  Accessible surface: 303.212  Positive charged surface: 172.318  Negative charged surface: 130.894  Volume: 122.25
  Hydrophobic surface: 203.058  Hydrophilic surface: 100.154
 
 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.