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APOLLO-ZINC00159469

 MMsINC code: MMs00045428
Type: Neutral
Formula: C9H6Cl3NO3S
SMILES:   ClC(C(=O)Nc1ccsc1C(OC)=O)=C(Cl)Cl
InChI:   InChI=1/C9H6Cl3NO3S/c1-16-9(15)6-4(2-3-17-6)13-8(14)5(10)7(11)12/h2-3H,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=55.9778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.576 g/mol  logS: -4.76409  SlogP: 3.5765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00843477  Sterimol/B1: 2.34498  Sterimol/B2: 2.40224  Sterimol/B3: 3.64743
  Sterimol/B4: 7.04667  Sterimol/L: 14.0999 
 
 Surface and Volume Properties
  Accessible surface: 464.449  Positive charged surface: 175.427  Negative charged surface: 289.022  Volume: 230.5
  Hydrophobic surface: 401.498  Hydrophilic surface: 62.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.