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APOLLO-ZINC00164980

 MMsINC code: MMs00047594
Type: Neutral
Formula: C12H9ClN2S2
SMILES:   ClCc1nc(sc1)Cc1sc2c(n1)cccc2
InChI:   InChI=1/C12H9ClN2S2/c13-6-8-7-16-11(14-8)5-12-15-9-3-1-2-4-10(9)17-12/h1-4,7H,5-6H2

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Potential Energy
Epot(MMFF94)=43.2982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.803 g/mol  logS: -3.29795  SlogP: 4.34877  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0996964  Sterimol/B1: 2.72847  Sterimol/B2: 3.93088  Sterimol/B3: 4.04595
  Sterimol/B4: 4.89707  Sterimol/L: 15.0144 
 
 Surface and Volume Properties
  Accessible surface: 491.414  Positive charged surface: 225.828  Negative charged surface: 265.585  Volume: 240.25
  Hydrophobic surface: 374.406  Hydrophilic surface: 117.008
 
 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.