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CHEMBLOCK-ZINC01429336

 MMsINC code: MMs00522854
Type: Neutral
Formula: C5H2ClN3S3
SMILES:   ClC/1=NSS\C\1=N/c1sccn1
InChI:   InChI=1/C5H2ClN3S3/c6-3-4(11-12-9-3)8-5-7-1-2-10-5/h1-2H/b8-4-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.7325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.743 g/mol  logS: -4.97165  SlogP: 3.1204  Reactive groups: 1
 
 Topological Properties
  Globularity: 3.74796e-07  Sterimol/B1: 2.18478  Sterimol/B2: 2.1916  Sterimol/B3: 3.3325
  Sterimol/B4: 4.93797  Sterimol/L: 11.4839 
 
 Surface and Volume Properties
  Accessible surface: 366.094  Positive charged surface: 156.847  Negative charged surface: 209.247  Volume: 169
  Hydrophobic surface: 241.289  Hydrophilic surface: 124.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.