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PUBCHEM-ZINC01847768

 MMsINC code: MMs02824662
Type: Neutral
Formula: C7H6S2
SMILES:   SC(=S)c1ccccc1
InChI:   InChI=1/C7H6S2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.1394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.257 g/mol  logS: -3.98749  SlogP: 2.2919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0215686  Sterimol/B1: 2.7647  Sterimol/B2: 3.23846  Sterimol/B3: 3.58633
  Sterimol/B4: 4.10495  Sterimol/L: 10.3897 
 
 Surface and Volume Properties
  Accessible surface: 327.765  Positive charged surface: 124.158  Negative charged surface: 203.607  Volume: 141.875
  Hydrophobic surface: 206.435  Hydrophilic surface: 121.33
 
 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.