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ACROSORGANICS-ZINC03860758

 MMsINC code: MMs00015535
Type: Neutral
Formula: C6H10O2S2
SMILES:   S(C(=O)C)CCSC(=O)C
InChI:   InChI=1/C6H10O2S2/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.53438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.276 g/mol  logS: -2.36364  SlogP: 1.5458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.024703  Sterimol/B1: 2.37483  Sterimol/B2: 2.37575  Sterimol/B3: 3.02639
  Sterimol/B4: 3.46632  Sterimol/L: 13.7314 
 
 Surface and Volume Properties
  Accessible surface: 376.937  Positive charged surface: 207.708  Negative charged surface: 169.229  Volume: 160.625
  Hydrophobic surface: 237.5  Hydrophilic surface: 139.437
 
 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.