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PUBCHEM-ZINC05141419

 MMsINC code: MMs03213062
Type: Neutral
Formula: C6H7NS2
SMILES:   S(SC)c1ncccc1
InChI:   InChI=1/C6H7NS2/c1-8-9-6-4-2-3-5-7-6/h2-5H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.2916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.261 g/mol  logS: -2.5632  SlogP: 2.4517  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0654189  Sterimol/B1: 2.33215  Sterimol/B2: 3.6668  Sterimol/B3: 3.77581
  Sterimol/B4: 4.16062  Sterimol/L: 10.2336 
 
 Surface and Volume Properties
  Accessible surface: 332.202  Positive charged surface: 166.179  Negative charged surface: 166.023  Volume: 144.5
  Hydrophobic surface: 277.47  Hydrophilic surface: 54.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.