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ACROSORGANICS-ZINC01651920

 MMsINC code: MMs00010267
Type: Neutral
Formula: C10H8O3S
SMILES:   S(O)(=O)(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=37.352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.237 g/mol  logS: -3.31283  SlogP: 1.5208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0298346  Sterimol/B1: 2.4353  Sterimol/B2: 3.36152  Sterimol/B3: 3.50959
  Sterimol/B4: 5.91395  Sterimol/L: 11.1145 
 
 Surface and Volume Properties
  Accessible surface: 371.495  Positive charged surface: 156.187  Negative charged surface: 204.237  Volume: 173.375
  Hydrophobic surface: 259.34  Hydrophilic surface: 112.155
 
 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


MMs00010268
ACROSORGANICS-ZINC01651920