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PUBCHEM-ZINC05478376

 MMsINC code: MMs03280893
Type: Neutral
Formula: C15H11N3O3S3
SMILES:   S1\C(=C\c2ncccc2)\C(=O)N(NS(=O)(=O)c2ccccc2)C1=S
InChI:   InChI=1/C15H11N3O3S3/c19-14-13(10-11-6-4-5-9-16-11)23-15(22)18(14)17-24(20,21)12-7-2-1-3-8-12/h1-10,17H/b13-10-

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Potential Energy
Epot(MMFF94)=95.0808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.469 g/mol  logS: -5.15961  SlogP: 2.1763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604745  Sterimol/B1: 2.52477  Sterimol/B2: 2.99706  Sterimol/B3: 4.9864
  Sterimol/B4: 7.1595  Sterimol/L: 15.8814 
 
 Surface and Volume Properties
  Accessible surface: 552.545  Positive charged surface: 265.056  Negative charged surface: 287.489  Volume: 307.625
  Hydrophobic surface: 353.461  Hydrophilic surface: 199.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.