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PUBCHEM-ZINC05338208

 MMsINC code: MMs03244380
Type: Neutral
Formula: C14H10N4S4
SMILES:   s1c2cc(N)ccc2nc1SSc1sc2cc(N)ccc2n1
InChI:   InChI=1/C14H10N4S4/c15-7-1-3-9-11(5-7)19-13(17-9)21-22-14-18-10-4-2-8(16)6-12(10)20-14/h1-6H,15-16H2

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Potential Energy
Epot(MMFF94)=49.0133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.526 g/mol  logS: -7.3494  SlogP: 4.8698  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0504241  Sterimol/B1: 2.70843  Sterimol/B2: 3.71914  Sterimol/B3: 5.04985
  Sterimol/B4: 6.85896  Sterimol/L: 16.0287 
 
 Surface and Volume Properties
  Accessible surface: 558.107  Positive charged surface: 265.877  Negative charged surface: 292.229  Volume: 296.25
  Hydrophobic surface: 393.021  Hydrophilic surface: 165.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.