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PUBCHEM-ZINC02011160

 MMsINC code: MMs02849281
Type: Neutral
Formula: C8H3Cl6N5S
SMILES:   ClC(Cl)(Cl)c1nc(nc(n1)Nc1sccn1)C(Cl)(Cl)Cl
InChI:   InChI=1/C8H3Cl6N5S/c9-7(10,11)3-16-4(8(12,13)14)18-5(17-3)19-6-15-1-2-20-6/h1-2H,(H,15,16,17,18,19)

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Potential Energy
Epot(MMFF94)=32.564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.931 g/mol  logS: -6.56991  SlogP: 5.3481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423479  Sterimol/B1: 3.68611  Sterimol/B2: 3.68652  Sterimol/B3: 5.10066
  Sterimol/B4: 5.44638  Sterimol/L: 14.0694 
 
 Surface and Volume Properties
  Accessible surface: 530.746  Positive charged surface: 115.306  Negative charged surface: 415.44  Volume: 277.75
  Hydrophobic surface: 137.413  Hydrophilic surface: 393.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.