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ACROSORGANICS-ZINC00901555

 MMsINC code: MMs00008285
Type: Neutral
Formula: C3H8OS2
SMILES:   SC(CO)CS
InChI:   InChI=1/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2/t3-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.4081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.228 g/mol  logS: -1.36492  SlogP: 0.2069  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.267961  Sterimol/B1: 2.64002  Sterimol/B2: 2.9125  Sterimol/B3: 3.17672
  Sterimol/B4: 4.54292  Sterimol/L: 8.63946 
 
 Surface and Volume Properties
  Accessible surface: 285.801  Positive charged surface: 179.136  Negative charged surface: 106.665  Volume: 110.875
  Hydrophobic surface: 146.284  Hydrophilic surface: 139.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.