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APOLLO-ZINC00159900

 MMsINC code: MMs00045587
Type: Neutral
Formula: C8H4Cl3NO3S
SMILES:   ClC(C(=O)Nc1ccsc1C(O)=O)=C(Cl)Cl
InChI:   InChI=1/C8H4Cl3NO3S/c9-4(6(10)11)7(13)12-3-1-2-16-5(3)8(14)15/h1-2H,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=45.1125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.549 g/mol  logS: -4.35176  SlogP: 3.4881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000895513  Sterimol/B1: 2.10528  Sterimol/B2: 2.31062  Sterimol/B3: 3.18181
  Sterimol/B4: 6.31254  Sterimol/L: 12.9412 
 
 Surface and Volume Properties
  Accessible surface: 432.255  Positive charged surface: 118.104  Negative charged surface: 314.15  Volume: 210.125
  Hydrophobic surface: 315.245  Hydrophilic surface: 117.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00045588
APOLLO-ZINC00159900