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NCID-ZINC01573398

 MMsINC code: MMs02232869
Type: Neutral
Formula: C6H3NS3
SMILES:   S1c2cccnc2SC1=S
InChI:   InChI=1/C6H3NS3/c8-6-9-4-2-1-3-7-5(4)10-6/h1-3H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.9551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.295 g/mol  logS: -3.13477  SlogP: 2.5643  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.64832e-07  Sterimol/B1: 2.33129  Sterimol/B2: 2.33471  Sterimol/B3: 3.32969
  Sterimol/B4: 4.09631  Sterimol/L: 11.5627 
 
 Surface and Volume Properties
  Accessible surface: 326.553  Positive charged surface: 115.272  Negative charged surface: 211.281  Volume: 147.125
  Hydrophobic surface: 134.336  Hydrophilic surface: 192.217
 
 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.