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PUBCHEM-ZINC00274694

 MMsINC code: MMs02648898
Type: Neutral
Formula: C10H9NO3S
SMILES:   S(=O)(=O)(N)c1cc(O)c2c(c1)cccc2
InChI:   InChI=1/C10H9NO3S/c11-15(13,14)8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,12H,(H2,11,13,14)

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Potential Energy
Epot(MMFF94)=17.9095 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: 0.0543691  Sterimol/B1: 2.80207  Sterimol/B2: 3.00698  Sterimol/B3: 3.08082
  Sterimol/B4: 6.18865  Sterimol/L: 12.1054 
 
 Surface and Volume Properties
  Accessible surface: 396.792  Positive charged surface: 192.485  Negative charged surface: 193.236  Volume: 186.875
  Hydrophobic surface: 219.726  Hydrophilic surface: 177.066
 
 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


MMs02648899
PUBCHEM-ZINC00274694