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PUBCHEM-ZINC00193451

 MMsINC code: MMs02638134
Type: Neutral
Formula: C10H9NO3S
SMILES:   S(=O)(=O)(N)c1c2c(cccc2)c(O)cc1
InChI:   InChI=1/C10H9NO3S/c11-15(13,14)10-6-5-9(12)7-3-1-2-4-8(7)10/h1-6,12H,(H2,11,13,14)

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Potential Energy
Epot(MMFF94)=26.4169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.252 g/mol  logS: -3.12742  SlogP: 1.1928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0754151  Sterimol/B1: 2.91477  Sterimol/B2: 3.01707  Sterimol/B3: 3.2389
  Sterimol/B4: 7.14143  Sterimol/L: 10.1963 
 
 Surface and Volume Properties
  Accessible surface: 384.904  Positive charged surface: 189.097  Negative charged surface: 185.869  Volume: 185
  Hydrophobic surface: 215.161  Hydrophilic surface: 169.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02638135
PUBCHEM-ZINC00193451