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APOLLO-ZINC00125994

 MMsINC code: MMs00043153
Type: Neutral
Formula: C10H9NO2S3
SMILES:   s1c(Sc2ccccc2)ccc1S(=O)(=O)N
InChI:   InChI=1/C10H9NO2S3/c11-16(12,13)10-7-6-9(15-10)14-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=19.7713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.385 g/mol  logS: -4.73302  SlogP: 2.5467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119526  Sterimol/B1: 2.90018  Sterimol/B2: 3.48386  Sterimol/B3: 3.86886
  Sterimol/B4: 5.89212  Sterimol/L: 12.7647 
 
 Surface and Volume Properties
  Accessible surface: 453.596  Positive charged surface: 209.388  Negative charged surface: 244.208  Volume: 221.75
  Hydrophobic surface: 317.333  Hydrophilic surface: 136.263
 
 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


MMs00043154
APOLLO-ZINC00125994