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APOLLO-ZINC00161206

 MMsINC code: MMs00046106
Type: Neutral
Formula: C5H6S2
SMILES:   s1cc(SC)cc1
InChI:   InChI=1/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.7269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.235 g/mol  logS: -2.06003  SlogP: 2.47  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261703  Sterimol/B1: 2.37378  Sterimol/B2: 2.37632  Sterimol/B3: 3.3572
  Sterimol/B4: 4.10842  Sterimol/L: 10.0211 
 
 Surface and Volume Properties
  Accessible surface: 286.613  Positive charged surface: 111.275  Negative charged surface: 175.339  Volume: 120.625
  Hydrophobic surface: 243.415  Hydrophilic surface: 43.198
 
 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.